ChemSpider 2D Image | 2-{[4-({1-[(2-Ethyl-6-methylphenyl)amino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | C28H31N3O4S

2-{[4-({1-[(2-Ethyl-6-methylphenyl)amino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID4297086

More details:

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

2-{[4-({1-[(2-Ethyl-6-methylphenyl)amino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophen-3-carboxamid [German] [ACD/IUPAC Name]
2-{[4-({1-[(2-Ethyl-6-methylphenyl)amino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide [ACD/IUPAC Name]
2-{[4-({1-[(2-Éthyl-6-méthylphényl)amino]-1-oxo-2-propanyl}oxy)benzoyl]amino}-4,5,6,7-tétrahydro-1-benzothiophène-3-carboxamide [French] [ACD/IUPAC Name]
2-{[4-({1-[(2-Ethyl-6-methylphenyl)amino]-1-oxopropan-2-yl}oxy)benzoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Benzo[b]thiophene-3-carboxamide, 2-[[4-[2-[(2-ethyl-6-methylphenyl)amino]-1-methyl-2-oxoethoxy]benzoyl]amino]-4,5,6,7-tetrahydro- [ACD/Index Name]
2-[(4-{[N-(6-ethyl-2-methylphenyl)carbamoyl]ethoxy}phenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
2-[[4-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
785842-19-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 638.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.7±31.5 °C
Index of Refraction: 1.661
Molar Refractivity: 144.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.89
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4707.03
ACD/KOC (pH 5.5): 14809.09
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4707.64
ACD/KOC (pH 7.4): 14811.01
Polar Surface Area: 139 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 390.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement