ChemSpider 2D Image | 2-Benzyl 4-ethyl 5-{[4-(diethylsulfamoyl)benzoyl]amino}-3-methyl-2,4-thiophenedicarboxylate | C27H30N2O7S2

2-Benzyl 4-ethyl 5-{[4-(diethylsulfamoyl)benzoyl]amino}-3-methyl-2,4-thiophenedicarboxylate

  • Molecular FormulaC27H30N2O7S2
  • Average mass558.666 Da
  • Monoisotopic mass558.149414 Da
  • ChemSpider ID27296958

More details:

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

2,4-Thiophenedicarboxylic acid, 5-[[4-[(diethylamino)sulfonyl]benzoyl]amino]-3-methyl-, 4-ethyl 2-(phenylmethyl) ester [ACD/Index Name]
2-Benzyl 4-ethyl 5-{[4-(diethylsulfamoyl)benzoyl]amino}-3-methyl-2,4-thiophenedicarboxylate [ACD/IUPAC Name]
2-Benzyl-4-ethyl-5-{[4-(diethylsulfamoyl)benzoyl]amino}-3-methyl-2,4-thiophendicarboxylat [German] [ACD/IUPAC Name]
5-{[4-(Diéthylsulfamoyl)benzoyl]amino}-3-méthyl-2,4-thiophènedicarboxylate de 2-benzyle et de 4-éthyle [French] [ACD/IUPAC Name]

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: 145.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.97
ACD/LogD (pH 5.5): 6.15
ACD/BCF (pH 5.5): 27976.91
ACD/KOC (pH 5.5): 53040.07
ACD/LogD (pH 7.4): 6.15
ACD/BCF (pH 7.4): 27973.75
ACD/KOC (pH 7.4): 53034.08
Polar Surface Area: 156 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

Click to predict properties on the Chemicalize site


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