ChemSpider 2D Image | 2-{[3-Cyano-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide | C29H32N4O5S2

2-{[3-Cyano-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID2225501

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-{[3-Cyan-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-chinolinyl]sulfanyl}-N-[4-(1-piperidinylsulfonyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-{[3-Cyano-4-(2-furyl)-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinoléinyl]sulfanyl}-N-[4-(1-pipéridinylsulfonyl)phényl]acétamide [French] [ACD/IUPAC Name]
2-{[3-Cyano-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide [ACD/IUPAC Name]
2-{[3-Cyano-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(piperidin-1-ylsulfonyl)phenyl]acetamide
Acetamide, 2-[[3-cyano-4-(2-furanyl)-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-quinolinyl]thio]-N-[4-(1-piperidinylsulfonyl)phenyl]- [ACD/Index Name]
2-((3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(4-(piperidin-1-ylsulfonyl)phenyl)acetamide
2-(3-Cyano-4-furan-2-yl-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinolin-2-ylsulfanyl)-N-[4-(piperidine-1-sulfonyl)-phenyl]-acetamide
2-{[3-cyano-4-(2-furyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]thio}-N-[4-(1-piperidinylsulfonyl)phenyl]acetamide
2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(piperidin-1-ylsulfonyl)phenyl]acetamide
2-{[3-cyano-4-(furan-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N-[4-(piperidine-1-sulfonyl)phenyl]acetamide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 152.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1508.99
ACD/KOC (pH 5.5): 6559.96
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1508.98
ACD/KOC (pH 7.4): 6559.95
Polar Surface Area: 166 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 412.7±5.0 cm3

Click to predict properties on the Chemicalize site


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