3-[(1-carbamoylpentyl)sulfamoyl]-N-cyclobutylbenzamide

• ChemBase ID: 460650
• Molecular Formular: C17H25N3O4S
• Molecular Mass: 367.4631
• Monoisotopic Mass: 367.1565773
• SMILES: S(=O)(=O)(NC(C(=O)N)CCCC)c1cc(C(=O)NC2CCC2)ccc1
• Canonical SMILES: CCCCC(C(=O)N)NS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
• InChI: InChI=1S/C17H25N3O4S/c1-2-3-10-15(16(18)21)20-25(23,24)14-9-4-6-12(11-14)17(22)19-13-7-5-8-13/h4,6,9,11,13,15,20H,2-3,5,7-8,10H2,1H3,(H2,18,21)(H,19,22)
• InChIKey: FSVILMRXBVKFGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(1-carbamoylpentyl)sulfamoyl]-N-cyclobutylbenzamide
• IUPAC Traditional name: 3-[(1-carbamoylpentyl)sulfamoyl]-N-cyclobutylbenzamide
• Synonyms: N~2~-({3-[(cyclobutylamino)carbonyl]phenyl}sulfonyl)norleucinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.845082
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.4388493
• LogD (pH = 7.4): 1.4374889
• Log P: 1.4388669
• Molar Refractivity: 95.0266 cm^3
• Polarizability: 37.38584 Å^3
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.58
• LOG S: -3.23
• Polar Surface Area: 118.36 Å^2
• Rotatable Bonds: 8