ChemSpider 2D Image | 2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 3-(ethylsulfamoyl)benzoate | C19H28N2O7S2

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 3-(ethylsulfamoyl)benzoate

  • Molecular FormulaC19H28N2O7S2
  • Average mass460.565 Da
  • Monoisotopic mass460.133789 Da
  • ChemSpider ID21982118

More details:

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

2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl 3-(ethylsulfamoyl)benzoate [ACD/IUPAC Name]
2-[(1,1-Dioxidotetrahydro-3-thiophenyl)(isobutyl)amino]-2-oxoethyl-3-(ethylsulfamoyl)benzoat [German] [ACD/IUPAC Name]
3-(Éthylsulfamoyl)benzoate de 2-[(1,1-dioxydotétrahydro-3-thiophényl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(ethylamino)sulfonyl]-, 2-[(2-methylpropyl)(tetrahydro-1,1-dioxido-3-thienyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.579
Molar Refractivity: 112.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.68
ACD/KOC (pH 5.5): 70.49
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.68
ACD/KOC (pH 7.4): 70.47
Polar Surface Area: 144 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 58.8±5.0 dyne/cm
Molar Volume: 337.2±5.0 cm3

Click to predict properties on the Chemicalize site


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