N-cyclobutyl-3-{[1-(1H-imidazol-1-yl)butan-2-yl]sulfamoyl}benzamide

• ChemBase ID: 821743
• Molecular Formular: C18H24N4O3S
• Molecular Mass: 376.47316
• Monoisotopic Mass: 376.15691165
• SMILES: S(=O)(=O)(NC(Cn1cncc1)CC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: CCC(NS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1)Cn1cncc1
• InChI: InChI=1S/C18H24N4O3S/c1-2-15(12-22-10-9-19-13-22)21-26(24,25)17-8-3-5-14(11-17)18(23)20-16-6-4-7-16/h3,5,8-11,13,15-16,21H,2,4,6-7,12H2,1H3,(H,20,23)
• InChIKey: SZVSEZXNRILORA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-{[1-(1H-imidazol-1-yl)butan-2-yl]sulfamoyl}benzamide
• IUPAC Traditional name: N-cyclobutyl-3-{[1-(imidazol-1-yl)butan-2-yl]sulfamoyl}benzamide
• Synonyms: N-cyclobutyl-3-({[1-(1H-imidazol-1-ylmethyl)propyl]amino}sulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.869064
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.1019735
• LogD (pH = 7.4): 1.5650572
• Log P: 1.6334265
• Molar Refractivity: 99.7832 cm^3
• Polarizability: 38.877625 Å^3
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.71
• LOG S: -3.4
• Polar Surface Area: 93.09 Å^2
• Rotatable Bonds: 7