N-[2-(5-methylfuran-2-yl)ethyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide

• ChemBase ID: 685347
• Molecular Formular: C18H22N2O5S
• Molecular Mass: 378.44268
• Monoisotopic Mass: 378.12494281
• SMILES: S(=O)(=O)(NC1CCOC1)c1cc(C(=O)NCCc2oc(cc2)C)ccc1
• Canonical SMILES: Cc1ccc(o1)CCNC(=O)c1cccc(c1)S(=O)(=O)NC1COCC1
• InChI: InChI=1S/C18H22N2O5S/c1-13-5-6-16(25-13)7-9-19-18(21)14-3-2-4-17(11-14)26(22,23)20-15-8-10-24-12-15/h2-6,11,15,20H,7-10,12H2,1H3,(H,19,21)
• InChIKey: FKIMFVFOAYIGIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methylfuran-2-yl)ethyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide
• IUPAC Traditional name: N-[2-(5-methylfuran-2-yl)ethyl]-3-[(oxolan-3-yl)sulfamoyl]benzamide
• Synonyms: N-[2-(5-methyl-2-furyl)ethyl]-3-[(tetrahydrofuran-3-ylamino)sulfonyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.866432
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.8227195
• LogD (pH = 7.4): 0.8214242
• Log P: 0.8227362
• Molar Refractivity: 97.7164 cm^3
• Polarizability: 37.74483 Å^3
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.42
• LOG S: -3.17
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 6