N-(2-methoxyethyl)-3-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide

• ChemBase ID: 520647
• Molecular Formular: C18H23N3O4S
• Molecular Mass: 377.45792
• Monoisotopic Mass: 377.14092723
• SMILES: S(=O)(=O)(c1cc(C(=O)NCCOC)ccc1)N(CCc1ncccc1)C
• Canonical SMILES: COCCNC(=O)c1cccc(c1)S(=O)(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C18H23N3O4S/c1-21(12-9-16-7-3-4-10-19-16)26(23,24)17-8-5-6-15(14-17)18(22)20-11-13-25-2/h3-8,10,14H,9,11-13H2,1-2H3,(H,20,22)
• InChIKey: WJUGOLFHUSQBHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{methyl[2-(pyridin-2-yl)ethyl]sulfamoyl}benzamide
• Synonyms: N-(2-methoxyethyl)-3-{[methyl(2-pyridin-2-ylethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.980766
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.8353665
• LogD (pH = 7.4): 0.8786715
• Log P: 0.8792549
• Molar Refractivity: 99.6608 cm^3
• Polarizability: 38.900932 Å^3
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.18
• LOG S: -1.66
• Polar Surface Area: 88.6 Å^2
• Rotatable Bonds: 8