ChemSpider 2D Image | N-{(2S)-1-Oxo-1-[(4-sulfamoylbenzyl)amino]-2-propanyl}-4-phenyl-1-piperazinecarboxamide | C21H27N5O4S

N-{(2S)-1-Oxo-1-[(4-sulfamoylbenzyl)amino]-2-propanyl}-4-phenyl-1-piperazinecarboxamide

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID30673259
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-Piperazinecarboxamide, N-[(1S)-2-[[[4-(aminosulfonyl)phenyl]methyl]amino]-1-methyl-2-oxoethyl]-4-phenyl- [ACD/Index Name]
N-{(2S)-1-Oxo-1-[(4-sulfamoylbenzyl)amino]-2-propanyl}-4-phenyl-1-piperazincarboxamid [German] [ACD/IUPAC Name]
N-{(2S)-1-Oxo-1-[(4-sulfamoylbenzyl)amino]-2-propanyl}-4-phenyl-1-piperazinecarboxamide [ACD/IUPAC Name]
N-{(2S)-1-Oxo-1-[(4-sulfamoylbenzyl)amino]-2-propanyl}-4-phényl-1-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2S)-2-(4-PHENYLPIPERAZINE-1-CARBONYLAMINO)-N-[(4-SULFAMOYLPHENYL)METHYL]PROPANAMIDE
(2S)-2-[(4-PHENYLPIPERAZINE-1-CARBONYL)AMINO]-N-[(4-SULFAMOYLPHENYL)METHYL]PROPANAMIDE
1314016-23-3 [RN]
C21H27N5O4S
N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]-4-phenylpiperazine-1-carboxamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.620
Molar Refractivity: 118.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.64
ACD/KOC (pH 5.5): 49.40
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.66
ACD/KOC (pH 7.4): 49.99
Polar Surface Area: 133 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 58.0±3.0 dyne/cm
Molar Volume: 338.3±3.0 cm3

Click to predict properties on the Chemicalize site






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