N-cyclobutyl-3-[(cyclopropylmethyl)(2-methoxyethyl)sulfamoyl]benzamide

• ChemBase ID: 757516
• Molecular Formular: C18H26N2O4S
• Molecular Mass: 366.47504
• Monoisotopic Mass: 366.16132832
• SMILES: S(=O)(=O)(N(CC1CC1)CCOC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: COCCN(S(=O)(=O)c1cccc(c1)C(=O)NC1CCC1)CC1CC1
• InChI: InChI=1S/C18H26N2O4S/c1-24-11-10-20(13-14-8-9-14)25(22,23)17-7-2-4-15(12-17)18(21)19-16-5-3-6-16/h2,4,7,12,14,16H,3,5-6,8-11,13H2,1H3,(H,19,21)
• InChIKey: JFGVLWAYIRHNPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(cyclopropylmethyl)(2-methoxyethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[cyclopropylmethyl(2-methoxyethyl)sulfamoyl]benzamide
• Synonyms: N-cyclobutyl-3-{[(cyclopropylmethyl)(2-methoxyethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.113149
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7446799
• LogD (pH = 7.4): 1.7446799
• Log P: 1.74468
• Molar Refractivity: 96.7821 cm^3
• Polarizability: 37.96093 Å^3
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.46
• LOG S: -3.97
• Polar Surface Area: 75.71 Å^2
• Rotatable Bonds: 8