N-[(3S,4S)-4-methoxy-1,1-dioxo-1λ6-thiolan-3-yl]-2-(2-methoxyphenyl)acetamide

• ChemBase ID: 619900
• Molecular Formular: C14H19NO5S
• Molecular Mass: 313.36936
• Monoisotopic Mass: 313.09839371
• SMILES: S1(=O)(=O)C[C@H]([C@@H](C1)OC)NC(=O)Cc1c(OC)cccc1
• Canonical SMILES: CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Cc1ccccc1OC
• InChI: InChI=1S/C14H19NO5S/c1-19-12-6-4-3-5-10(12)7-14(16)15-11-8-21(17,18)9-13(11)20-2/h3-6,11,13H,7-9H2,1-2H3,(H,15,16)/t11-,13-/m1/s1
• InChIKey: IVPZVMZITSNBJW-DGCLKSJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3S,4S)-4-methoxy-1,1-dioxo-1λ^6-thiolan-3-yl]-2-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-[(3S,4S)-4-methoxy-1,1-dioxo-1λ^6-thiolan-3-yl]-2-(2-methoxyphenyl)acetamide
• Synonyms: N-[(3S*,4S*)-4-methoxy-1,1-dioxidotetrahydro-3-thienyl]-2-(2-methoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.0654335
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.3970283
• LogD (pH = 7.4): -0.3970291
• Log P: -0.39702827
• Molar Refractivity: 76.5334 cm^3
• Polarizability: 31.153538 Å^3
• Polar Surface Area: 81.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.61
• LOG S: -0.96
• Polar Surface Area: 81.7 Å^2
• Rotatable Bonds: 5