ChemSpider 2D Image | N~2~-[(4-Methylphenyl)sulfonyl]-N-(5-phenyl-1H-pyrrol-3-yl)-L-alaninamide | C20H21N3O3S

N2-[(4-Methylphenyl)sulfonyl]-N-(5-phenyl-1H-pyrrol-3-yl)-L-alaninamide

  • Molecular FormulaC20H21N3O3S
  • Average mass383.464 Da
  • Monoisotopic mass383.130371 Da
  • ChemSpider ID28536537

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

N2-[(4-Methylphenyl)sulfonyl]-N-(5-phenyl-1H-pyrrol-3-yl)-L-alaninamid [German] [ACD/IUPAC Name]
N2-[(4-Methylphenyl)sulfonyl]-N-(5-phenyl-1H-pyrrol-3-yl)-L-alaninamide [ACD/IUPAC Name]
N2-[(4-Méthylphényl)sulfonyl]-N-(5-phényl-1H-pyrrol-3-yl)-L-alaninamide [French] [ACD/IUPAC Name]
Propanamide, 2-[[(4-methylphenyl)sulfonyl]amino]-N-(5-phenyl-1H-pyrrol-3-yl)-, (2S)- [ACD/Index Name]
(2S)-2-(4-METHYLBENZENESULFONAMIDO)-N-(5-PHENYL-1H-PYRROL-3-YL)PROPANAMIDE
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-(5-phenyl-1H-pyrrol-3-yl)propanamide
(S)-2-(4-Methylphenylsulfonamido)-N-(5-phenyl-1H-pyrrol-3-yl)propanamide
(S)-5-Phenyl-1H-pyrrol-3-yl 2-(4-methylphenylsulfonamido)propanoate
1565818-57-6 [RN]
99740-00-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 104.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.33
ACD/KOC (pH 5.5): 860.21
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.12
ACD/KOC (pH 7.4): 848.37
Polar Surface Area: 99 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 57.0±3.0 dyne/cm
Molar Volume: 294.3±3.0 cm3

Click to predict properties on the Chemicalize site


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