ChemSpider 2D Image | N-Isobutyl-N-({5-[4-(methylsulfonyl)phenyl]-2-thienyl}methyl)-1-phenylmethanesulfonamide | C23H27NO4S3

N-Isobutyl-N-({5-[4-(methylsulfonyl)phenyl]-2-thienyl}methyl)-1-phenylmethanesulfonamide

  • Molecular FormulaC23H27NO4S3
  • Average mass477.660 Da
  • Monoisotopic mass477.110229 Da
  • ChemSpider ID34254411

More details:

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

Benzenemethanesulfonamide, N-(2-methylpropyl)-N-[[5-[4-(methylsulfonyl)phenyl]-2-thienyl]methyl]- [ACD/Index Name]
N-(2-Methylpropyl)-N-({5-[4-(Methylsulfonyl)phenyl]thiophen-2-Yl}methyl)-1-Phenylmethanesulfonamide
N-Isobutyl-N-({5-[4-(methylsulfonyl)phenyl]-2-thienyl}methyl)-1-phenylmethanesulfonamide [ACD/IUPAC Name]
N-Isobutyl-N-({5-[4-(méthylsulfonyl)phényl]-2-thiényl}méthyl)-1-phénylméthanesulfonamide [French] [ACD/IUPAC Name]
N-Isobutyl-N-({5-[4-(methylsulfonyl)phenyl]-2-thienyl}methyl)-1-phenylmethansulfonamid [German] [ACD/IUPAC Name]
39K

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.4±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1219.01
ACD/KOC (pH 5.5): 5630.70
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1219.01
ACD/KOC (pH 7.4): 5630.70
Polar Surface Area: 117 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 374.2±3.0 cm3

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