ChemSpider 2D Image | 2-{[N-(5-Chloro-2-methylphenyl)-N-(methylsulfonyl)glycyl](2-methylbenzyl)amino}-N-cyclohexylbutanamide | C28H38ClN3O4S

2-{[N-(5-Chloro-2-methylphenyl)-N-(methylsulfonyl)glycyl](2-methylbenzyl)amino}-N-cyclohexylbutanamide

  • Molecular FormulaC28H38ClN3O4S
  • Average mass548.137 Da
  • Monoisotopic mass547.227173 Da
  • ChemSpider ID68451284

More details:

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

2-{[N-(5-Chlor-2-methylphenyl)-N-(methylsulfonyl)glycyl](2-methylbenzyl)amino}-N-cyclohexylbutanamid [German] [ACD/IUPAC Name]
2-{[N-(5-Chloro-2-methylphenyl)-N-(methylsulfonyl)glycyl](2-methylbenzyl)amino}-N-cyclohexylbutanamide [ACD/IUPAC Name]
2-{[N-(5-Chloro-2-méthylphényl)-N-(méthylsulfonyl)glycyl](2-méthylbenzyl)amino}-N-cyclohexylbutanamide [French] [ACD/IUPAC Name]
Butanamide, 2-[[2-[(5-chloro-2-methylphenyl)(methylsulfonyl)amino]acetyl][(2-methylphenyl)methyl]amino]-N-cyclohexyl- [ACD/Index Name]
2-{2-[N-(5-CHLORO-2-METHYLPHENYL)METHANESULFONAMIDO]-N-[(2-METHYLPHENYL)METHYL]ACETAMIDO}-N-CYCLOHEXYLBUTANAMIDE

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: 1.599
Molar Refractivity: 148.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.00
ACD/LogD (pH 5.5): 5.09
ACD/BCF (pH 5.5): 4344.87
ACD/KOC (pH 5.5): 13984.84
ACD/LogD (pH 7.4): 5.09
ACD/BCF (pH 7.4): 4344.87
ACD/KOC (pH 7.4): 13984.84
Polar Surface Area: 95 Å2
Polarizability: 59.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 435.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement