N-cyclobutyl-3-[(2-acetamidoethyl)sulfamoyl]benzamide

• ChemBase ID: 440686
• Molecular Formular: C15H21N3O4S
• Molecular Mass: 339.40994
• Monoisotopic Mass: 339.12527717
• SMILES: S(=O)(=O)(c1cc(C(=O)NC2CCC2)ccc1)NCCNC(=O)C
• Canonical SMILES: CC(=O)NCCNS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
• InChI: InChI=1S/C15H21N3O4S/c1-11(19)16-8-9-17-23(21,22)14-7-2-4-12(10-14)15(20)18-13-5-3-6-13/h2,4,7,10,13,17H,3,5-6,8-9H2,1H3,(H,16,19)(H,18,20)
• InChIKey: ZWPPWKIETFKZLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclobutyl-3-[(2-acetamidoethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-cyclobutyl-3-[(2-acetamidoethyl)sulfamoyl]benzamide
• Synonyms: 3-({[2-(acetylamino)ethyl]amino}sulfonyl)-N-cyclobutylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.879935
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.19075122
• LogD (pH = 7.4): -0.19200693
• Log P: -0.190735
• Molar Refractivity: 86.2935 cm^3
• Polarizability: 33.725197 Å^3
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.01
• LOG S: -2.98
• Polar Surface Area: 104.37 Å^2
• Rotatable Bonds: 6