N-[(2R)-oxolan-2-ylmethyl]-3-[(thiophen-3-ylmethyl)sulfamoyl]benzamide

• ChemBase ID: 697180
• Molecular Formular: C17H20N2O4S2
• Molecular Mass: 380.4817
• Monoisotopic Mass: 380.08644913
• SMILES: S(=O)(=O)(c1cc(C(=O)NC[C@@H]2OCCC2)ccc1)NCc1cscc1
• Canonical SMILES: O=C(c1cccc(c1)S(=O)(=O)NCc1ccsc1)NC[C@H]1CCCO1
• InChI: InChI=1S/C17H20N2O4S2/c20-17(18-11-15-4-2-7-23-15)14-3-1-5-16(9-14)25(21,22)19-10-13-6-8-24-12-13/h1,3,5-6,8-9,12,15,19H,2,4,7,10-11H2,(H,18,20)/t15-/m1/s1
• InChIKey: BYZGJSVSZVTLQX-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2R)-oxolan-2-ylmethyl]-3-[(thiophen-3-ylmethyl)sulfamoyl]benzamide
• IUPAC Traditional name: N-[(2R)-oxolan-2-ylmethyl]-3-[(thiophen-3-ylmethyl)sulfamoyl]benzamide
• Synonyms: N-[(2R)-tetrahydrofuran-2-ylmethyl]-3-{[(3-thienylmethyl)amino]sulfonyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.869522
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.8007566
• LogD (pH = 7.4): 1.7994704
• Log P: 1.8007731
• Molar Refractivity: 97.0608 cm^3
• Polarizability: 37.761665 Å^3
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.48
• LOG S: -3.24
• Polar Surface Area: 84.5 Å^2
• Rotatable Bonds: 6