ChemSpider 2D Image | N-(2-{[(1R)-2-(Cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl](3,5-dimethylphenyl)amino}-2-oxoethyl)-2-thiophenecarboxamide | C26H29N3O3S2

N-(2-{[(1R)-2-(Cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl](3,5-dimethylphenyl)amino}-2-oxoethyl)-2-thiophenecarboxamide

  • Molecular FormulaC26H29N3O3S2
  • Average mass495.657 Da
  • Monoisotopic mass495.165039 Da
  • ChemSpider ID62446290

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Thiopheneacetamide, N-cyclopentyl-α-[(3,5-dimethylphenyl)[2-[(2-thienylcarbonyl)amino]acetyl]amino]-, (αR)- [ACD/Index Name]
N-(2-{[(1R)-2-(Cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl](3,5-dimethylphenyl)amino}-2-oxoethyl)-2-thiophencarboxamid [German] [ACD/IUPAC Name]
N-(2-{[(1R)-2-(Cyclopentylamino)-2-oxo-1-(2-thienyl)ethyl](3,5-dimethylphenyl)amino}-2-oxoethyl)-2-thiophenecarboxamide [ACD/IUPAC Name]
N-(2-{[(1R)-2-(Cyclopentylamino)-2-oxo-1-(2-thiényl)éthyl](3,5-diméthylphényl)amino}-2-oxoéthyl)-2-thiophènecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 790.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 432.0±32.9 °C
Index of Refraction: 1.646
Molar Refractivity: 137.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 478.59
ACD/KOC (pH 5.5): 2883.50
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 478.58
ACD/KOC (pH 7.4): 2883.45
Polar Surface Area: 135 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 62.1±5.0 dyne/cm
Molar Volume: 378.7±5.0 cm3

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