1-(methoxymethyl)-N-[(4-sulfamoylphenyl)methyl]cyclobutane-1-carboxamide

• ChemBase ID: 497921
• Molecular Formular: C14H20N2O4S
• Molecular Mass: 312.3846
• Monoisotopic Mass: 312.11437813
• SMILES: S(=O)(=O)(c1ccc(CNC(=O)C2(COC)CCC2)cc1)N
• Canonical SMILES: COCC1(CCC1)C(=O)NCc1ccc(cc1)S(=O)(=O)N
• InChI: InChI=1S/C14H20N2O4S/c1-20-10-14(7-2-8-14)13(17)16-9-11-3-5-12(6-4-11)21(15,18)19/h3-6H,2,7-10H2,1H3,(H,16,17)(H2,15,18,19)
• InChIKey: HXPABRPTGAGUGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)-N-[(4-sulfamoylphenyl)methyl]cyclobutane-1-carboxamide
• IUPAC Traditional name: 1-(methoxymethyl)-N-[(4-sulfamoylphenyl)methyl]cyclobutane-1-carboxamide
• Synonyms: N-[4-(aminosulfonyl)benzyl]-1-(methoxymethyl)cyclobutanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.217248
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6666187
• LogD (pH = 7.4): 0.6660406
• Log P: 0.66662616
• Molar Refractivity: 79.1602 cm^3
• Polarizability: 31.554384 Å^3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.57
• LOG S: -2.3
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 6