N-methyl-3-(morpholine-4-sulfonyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

• ChemBase ID: 541678
• Molecular Formular: C16H20N4O5S
• Molecular Mass: 380.4188
• Monoisotopic Mass: 380.11544076
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(C(=O)N(CCc2ncon2)C)ccc1
• Canonical SMILES: CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)CCc1nocn1
• InChI: InChI=1S/C16H20N4O5S/c1-19(6-5-15-17-12-25-18-15)16(21)13-3-2-4-14(11-13)26(22,23)20-7-9-24-10-8-20/h2-4,11-12H,5-10H2,1H3
• InChIKey: BKOJNJWETZMZQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(morpholine-4-sulfonyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
• IUPAC Traditional name: N-methyl-3-(morpholine-4-sulfonyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
• Synonyms: N-methyl-3-(morpholin-4-ylsulfonyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.24858393
• LogD (pH = 7.4): 0.24858402
• Log P: 0.24858402
• Molar Refractivity: 95.3944 cm^3
• Polarizability: 36.156467 Å^3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.71
• LOG S: -2.68
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 5