ChemSpider 2D Image | 4-[(3-Chloro-2-methylphenyl)(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide | C28H40ClN3O4S

4-[(3-Chloro-2-methylphenyl)(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide

  • Molecular FormulaC28H40ClN3O4S
  • Average mass550.153 Da
  • Monoisotopic mass549.242798 Da
  • ChemSpider ID68312201

More details:

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

4-[(3-Chlor-2-methylphenyl)(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamid [German] [ACD/IUPAC Name]
4-[(3-Chloro-2-methylphenyl)(methylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phenylethyl)butanamide [ACD/IUPAC Name]
4-[(3-Chloro-2-méthylphényl)(méthylsulfonyl)amino]-N-[1-(isobutylamino)-1-oxo-2-butanyl]-N-(2-phényléthyl)butanamide [French] [ACD/IUPAC Name]
Butanamide, 4-[(3-chloro-2-methylphenyl)(methylsulfonyl)amino]-N-[1-[[(2-methylpropyl)amino]carbonyl]propyl]-N-(2-phenylethyl)- [ACD/Index Name]
2-{4-[N-(3-CHLORO-2-METHYLPHENYL)METHANESULFONAMIDO]-N-(2-PHENYLETHYL)BUTANAMIDO}-N-(2-METHYLPROPYL)BUTANAMIDE

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1256.32
ACD/KOC (pH 5.5): 5753.54
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1256.32
ACD/KOC (pH 7.4): 5753.54
Polar Surface Area: 95 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 463.0±3.0 cm3

Click to predict properties on the Chemicalize site


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