N-ethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]-N-(2-methylprop-2-en-1-yl)benzamide

• ChemBase ID: 565736
• Molecular Formular: C18H25N3O4S
• Molecular Mass: 379.4738
• Monoisotopic Mass: 379.1565773
• SMILES: S(=O)(=O)(NC1C(=O)N(CC1)C)c1cc(C(=O)N(CC(=C)C)CC)ccc1
• Canonical SMILES: CCN(C(=O)c1cccc(c1)S(=O)(=O)NC1CCN(C1=O)C)CC(=C)C
• InChI: InChI=1S/C18H25N3O4S/c1-5-21(12-13(2)3)17(22)14-7-6-8-15(11-14)26(24,25)19-16-9-10-20(4)18(16)23/h6-8,11,16,19H,2,5,9-10,12H2,1,3-4H3
• InChIKey: KEAWFULJDGAJLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]-N-(2-methylprop-2-en-1-yl)benzamide
• IUPAC Traditional name: N-ethyl-3-[(1-methyl-2-oxopyrrolidin-3-yl)sulfamoyl]-N-(2-methylprop-2-en-1-yl)benzamide
• Synonyms: N-ethyl-3-{[(1-methyl-2-oxopyrrolidin-3-yl)amino]sulfonyl}-N-(2-methylprop-2-en-1-yl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.842184
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.65113044
• LogD (pH = 7.4): 0.64976084
• Log P: 0.651148
• Molar Refractivity: 100.5196 cm^3
• Polarizability: 38.971165 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.75
• LOG S: -2.61
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 6