N-[(2-methoxyphenyl)methyl]-2-methyl-N-propyl-5-sulfamoylbenzamide

• ChemBase ID: 628086
• Molecular Formular: C19H24N2O4S
• Molecular Mass: 376.46986
• Monoisotopic Mass: 376.14567826
• SMILES: S(=O)(=O)(c1cc(C(=O)N(Cc2c(OC)cccc2)CCC)c(cc1)C)N
• Canonical SMILES: CCCN(C(=O)c1cc(ccc1C)S(=O)(=O)N)Cc1ccccc1OC
• InChI: InChI=1S/C19H24N2O4S/c1-4-11-21(13-15-7-5-6-8-18(15)25-3)19(22)17-12-16(26(20,23)24)10-9-14(17)2/h5-10,12H,4,11,13H2,1-3H3,(H2,20,23,24)
• InChIKey: URKABDYVPGNMSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-propyl-5-sulfamoylbenzamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-methyl-N-propyl-5-sulfamoylbenzamide
• Synonyms: 5-(aminosulfonyl)-N-(2-methoxybenzyl)-2-methyl-N-propylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.188415
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8368146
• LogD (pH = 7.4): 2.836197
• Log P: 2.8368225
• Molar Refractivity: 102.4773 cm^3
• Polarizability: 39.685127 Å^3
• Polar Surface Area: 89.7 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: 2.98
• LOG S: -4.49
• Polar Surface Area: 89.7 Å^2
• Rotatable Bonds: 7