3,4-dimethyl-N-propyl-5-sulfamoyl-N-(thiophen-3-ylmethyl)benzamide

• ChemBase ID: 451308
• Molecular Formular: C17H22N2O3S2
• Molecular Mass: 366.49818
• Monoisotopic Mass: 366.10718457
• SMILES: S(=O)(=O)(c1cc(C(=O)N(Cc2cscc2)CCC)cc(c1C)C)N
• Canonical SMILES: CCCN(C(=O)c1cc(C)c(c(c1)S(=O)(=O)N)C)Cc1ccsc1
• InChI: InChI=1S/C17H22N2O3S2/c1-4-6-19(10-14-5-7-23-11-14)17(20)15-8-12(2)13(3)16(9-15)24(18,21)22/h5,7-9,11H,4,6,10H2,1-3H3,(H2,18,21,22)
• InChIKey: UGLZAOVRCXDPLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4-dimethyl-N-propyl-5-sulfamoyl-N-(thiophen-3-ylmethyl)benzamide
• IUPAC Traditional name: 3,4-dimethyl-N-propyl-5-sulfamoyl-N-(thiophen-3-ylmethyl)benzamide
• Synonyms: 3-(aminosulfonyl)-4,5-dimethyl-N-propyl-N-(3-thienylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.175821
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.288349
• LogD (pH = 7.4): 3.287713
• Log P: 3.2883573
• Molar Refractivity: 98.1611 cm^3
• Polarizability: 37.604515 Å^3
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.15
• LOG S: -4.57
• Polar Surface Area: 80.47 Å^2
• Rotatable Bonds: 6