2-methanesulfonyl-N-[2-(2-phenoxyethoxy)phenyl]acetamide

• ChemBase ID: 622094
• Molecular Formular: C17H19NO5S
• Molecular Mass: 349.40146
• Monoisotopic Mass: 349.09839371
• SMILES: S(=O)(=O)(CC(=O)Nc1c(OCCOc2ccccc2)cccc1)C
• Canonical SMILES: O=C(CS(=O)(=O)C)Nc1ccccc1OCCOc1ccccc1
• InChI: InChI=1S/C17H19NO5S/c1-24(20,21)13-17(19)18-15-9-5-6-10-16(15)23-12-11-22-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
• InChIKey: WGKUSRKGHRJLNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methanesulfonyl-N-[2-(2-phenoxyethoxy)phenyl]acetamide
• IUPAC Traditional name: 2-methanesulfonyl-N-[2-(2-phenoxyethoxy)phenyl]acetamide
• Synonyms: 2-(methylsulfonyl)-N-[2-(2-phenoxyethoxy)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.143802
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.554161
• LogD (pH = 7.4): 1.5465065
• Log P: 1.5542594
• Molar Refractivity: 91.6613 cm^3
• Polarizability: 35.883816 Å^3
• Polar Surface Area: 81.7 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: -3.8
• Polar Surface Area: 81.7 Å^2
• Rotatable Bonds: 8