N-[2-(5-methylfuran-2-yl)ethyl]-3-{[(2R)-oxolan-2-ylmethyl]sulfamoyl}benzamide

• ChemBase ID: 847835
• Molecular Formular: C19H24N2O5S
• Molecular Mass: 392.46926
• Monoisotopic Mass: 392.14059288
• SMILES: S(=O)(=O)(NC[C@@H]1OCCC1)c1cc(C(=O)NCCc2oc(cc2)C)ccc1
• Canonical SMILES: Cc1ccc(o1)CCNC(=O)c1cccc(c1)S(=O)(=O)NC[C@H]1CCCO1
• InChI: InChI=1S/C19H24N2O5S/c1-14-7-8-16(26-14)9-10-20-19(22)15-4-2-6-18(12-15)27(23,24)21-13-17-5-3-11-25-17/h2,4,6-8,12,17,21H,3,5,9-11,13H2,1H3,(H,20,22)/t17-/m1/s1
• InChIKey: MLULNZJURZTXCP-QGZVFWFLSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.8761215
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3400825
• LogD (pH = 7.4): 1.3388157
• Log P: 1.3400989
• Molar Refractivity: 102.361 cm^3
• Polarizability: 39.57557 Å^3
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.66
• LOG S: -3.48
• Polar Surface Area: 97.64 Å^2
• Rotatable Bonds: 7