N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(morpholine-4-sulfonyl)benzamide

• ChemBase ID: 717851
• Molecular Formular: C16H20N4O5S
• Molecular Mass: 380.4188
• Monoisotopic Mass: 380.11544076
• SMILES: S(=O)(=O)(N1CCOCC1)c1cc(C(=O)N(Cc2nc(on2)C)C)ccc1
• Canonical SMILES: Cc1onc(n1)CN(C(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)C
• InChI: InChI=1S/C16H20N4O5S/c1-12-17-15(18-25-12)11-19(2)16(21)13-4-3-5-14(10-13)26(22,23)20-6-8-24-9-7-20/h3-5,10H,6-9,11H2,1-2H3
• InChIKey: FXDIJRPXNZRNKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(morpholine-4-sulfonyl)benzamide
• IUPAC Traditional name: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(morpholine-4-sulfonyl)benzamide
• Synonyms: N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-(morpholin-4-ylsulfonyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.2956699
• LogD (pH = 7.4): 0.29566997
• Log P: 0.29566997
• Molar Refractivity: 95.1357 cm^3
• Polarizability: 36.082027 Å^3
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: -0.62
• LOG S: -2.75
• Polar Surface Area: 105.84 Å^2
• Rotatable Bonds: 4