N-{[1-(ethoxymethyl)cyclobutyl]methyl}-3,4-dimethyl-5-sulfamoylbenzamide

• ChemBase ID: 743667
• Molecular Formular: C17H26N2O4S
• Molecular Mass: 354.46434
• Monoisotopic Mass: 354.16132832
• SMILES: S(=O)(=O)(c1cc(C(=O)NCC2(COCC)CCC2)cc(c1C)C)N
• Canonical SMILES: CCOCC1(CCC1)CNC(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C
• InChI: InChI=1S/C17H26N2O4S/c1-4-23-11-17(6-5-7-17)10-19-16(20)14-8-12(2)13(3)15(9-14)24(18,21)22/h8-9H,4-7,10-11H2,1-3H3,(H,19,20)(H2,18,21,22)
• InChIKey: RRHIMJZEBBLBBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-3,4-dimethyl-5-sulfamoylbenzamide
• IUPAC Traditional name: N-{[1-(ethoxymethyl)cyclobutyl]methyl}-3,4-dimethyl-5-sulfamoylbenzamide
• Synonyms: 3-(aminosulfonyl)-N-{[1-(ethoxymethyl)cyclobutyl]methyl}-4,5-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.178576
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0027375
• LogD (pH = 7.4): 2.0021057
• Log P: 2.0027459
• Molar Refractivity: 94.489 cm^3
• Polarizability: 36.697865 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: 2.02
• LOG S: -3.51
• Polar Surface Area: 98.49 Å^2
• Rotatable Bonds: 7