N-butyl-N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide

• ChemBase ID: 567807
• Molecular Formular: C17H22N2O4S
• Molecular Mass: 350.43258
• Monoisotopic Mass: 350.13002819
• SMILES: S(=O)(=O)(c1cc(C(=O)N(Cc2occc2)CCCC)c(cc1)C)N
• Canonical SMILES: CCCCN(C(=O)c1cc(ccc1C)S(=O)(=O)N)Cc1ccco1
• InChI: InChI=1S/C17H22N2O4S/c1-3-4-9-19(12-14-6-5-10-23-14)17(20)16-11-15(24(18,21)22)8-7-13(16)2/h5-8,10-11H,3-4,9,12H2,1-2H3,(H2,18,21,22)
• InChIKey: OEPDACMZTLNAAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
• IUPAC Traditional name: N-butyl-N-(furan-2-ylmethyl)-2-methyl-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-butyl-N-(2-furylmethyl)-2-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.188295
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4993012
• LogD (pH = 7.4): 2.4986832
• Log P: 2.499309
• Molar Refractivity: 93.006 cm^3
• Polarizability: 35.899765 Å^3
• Polar Surface Area: 93.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.76
• LOG S: -4.12
• Polar Surface Area: 93.61 Å^2
• Rotatable Bonds: 7