N-(2-methoxyethyl)-4-[(1-methyl-6-oxopiperidin-3-yl)sulfamoyl]benzamide

• ChemBase ID: 737398
• Molecular Formular: C16H23N3O5S
• Molecular Mass: 369.43592
• Monoisotopic Mass: 369.13584185
• SMILES: S(=O)(=O)(NC1CN(C(=O)CC1)C)c1ccc(C(=O)NCCOC)cc1
• Canonical SMILES: COCCNC(=O)c1ccc(cc1)S(=O)(=O)NC1CCC(=O)N(C1)C
• InChI: InChI=1S/C16H23N3O5S/c1-19-11-13(5-8-15(19)20)18-25(22,23)14-6-3-12(4-7-14)16(21)17-9-10-24-2/h3-4,6-7,13,18H,5,8-11H2,1-2H3,(H,17,21)
• InChIKey: HJLJLBLLNGDSGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-4-[(1-methyl-6-oxopiperidin-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-4-[(1-methyl-6-oxopiperidin-3-yl)sulfamoyl]benzamide
• Synonyms: N-(2-methoxyethyl)-4-{[(1-methyl-6-oxo-3-piperidinyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.884151
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.6374136
• LogD (pH = 7.4): -0.6386573
• Log P: -0.6373976
• Molar Refractivity: 92.987 cm^3
• Polarizability: 36.290462 Å^3
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -0.31
• LOG S: -2.94
• Polar Surface Area: 104.81 Å^2
• Rotatable Bonds: 6