4-[(2-methoxyethyl)sulfamoyl]-N-(2-oxoazepan-3-yl)benzamide

• ChemBase ID: 731506
• Molecular Formular: C16H23N3O5S
• Molecular Mass: 369.43592
• Monoisotopic Mass: 369.13584185
• SMILES: S(=O)(=O)(c1ccc(C(=O)NC2C(=O)NCCCC2)cc1)NCCOC
• Canonical SMILES: COCCNS(=O)(=O)c1ccc(cc1)C(=O)NC1CCCCNC1=O
• InChI: InChI=1S/C16H23N3O5S/c1-24-11-10-18-25(22,23)13-7-5-12(6-8-13)15(20)19-14-4-2-3-9-17-16(14)21/h5-8,14,18H,2-4,9-11H2,1H3,(H,17,21)(H,19,20)
• InChIKey: LJLKYOZFHLSKQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methoxyethyl)sulfamoyl]-N-(2-oxoazepan-3-yl)benzamide
• IUPAC Traditional name: 4-[(2-methoxyethyl)sulfamoyl]-N-(2-oxoazepan-3-yl)benzamide
• Synonyms: 4-{[(2-methoxyethyl)amino]sulfonyl}-N-(2-oxo-3-azepanyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.887919
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.21268313
• LogD (pH = 7.4): -0.21391612
• Log P: -0.21266732
• Molar Refractivity: 92.822 cm^3
• Polarizability: 36.290398 Å^3
• Polar Surface Area: 113.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.9
• LOG S: -2.44
• Polar Surface Area: 113.6 Å^2
• Rotatable Bonds: 6