N-(2-methanesulfonamidoethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

• ChemBase ID: 582632
• Molecular Formular: C14H18N4O4S
• Molecular Mass: 338.38212
• Monoisotopic Mass: 338.10487608
• SMILES: n1c(noc1CCC(=O)NCCNS(=O)(=O)C)c1ccccc1
• Canonical SMILES: O=C(CCc1onc(n1)c1ccccc1)NCCNS(=O)(=O)C
• InChI: InChI=1S/C14H18N4O4S/c1-23(20,21)16-10-9-15-12(19)7-8-13-17-14(18-22-13)11-5-3-2-4-6-11/h2-6,16H,7-10H2,1H3,(H,15,19)
• InChIKey: CIRUPTIRTXADCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methanesulfonamidoethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• IUPAC Traditional name: N-(2-methanesulfonamidoethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
• Synonyms: N-{2-[(methylsulfonyl)amino]ethyl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.527395
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.30300188
• LogD (pH = 7.4): 0.30297267
• Log P: 0.30300227
• Molar Refractivity: 95.1327 cm^3
• Polarizability: 33.362328 Å^3
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.46
• LOG S: -2.06
• Polar Surface Area: 114.19 Å^2
• Rotatable Bonds: 7