4-[(2-methylprop-2-en-1-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]benzamide

• ChemBase ID: 393448
• Molecular Formular: C18H20N2O4S
• Molecular Mass: 360.4274
• Monoisotopic Mass: 360.11437813
• SMILES: S(=O)(=O)(c1ccc(CNC(=O)c2ccc(OCC(=C)C)cc2)cc1)N
• Canonical SMILES: O=C(c1ccc(cc1)OCC(=C)C)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C18H20N2O4S/c1-13(2)12-24-16-7-5-15(6-8-16)18(21)20-11-14-3-9-17(10-4-14)25(19,22)23/h3-10H,1,11-12H2,2H3,(H,20,21)(H2,19,22,23)
• InChIKey: MGMOKVJFAQLRTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
• IUPAC Traditional name: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[(4-sulfamoylphenyl)methyl]benzamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-4-[(2-methylprop-2-en-1-yl)oxy]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.21725
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1949983
• LogD (pH = 7.4): 2.1944203
• Log P: 2.195006
• Molar Refractivity: 96.7115 cm^3
• Polarizability: 37.676647 Å^3
• Polar Surface Area: 98.49 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: 2.37
• LOG S: -3.85
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 7