N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-carboxamide

• ChemBase ID: 668550
• Molecular Formular: C23H24N2O3S
• Molecular Mass: 408.51326
• Monoisotopic Mass: 408.15076364
• SMILES: C(=O)(N(C1CC1)Cc1cc(c(cc1)OC)OCCc1ncccc1)c1sccc1
• Canonical SMILES: COc1ccc(cc1OCCc1ccccn1)CN(C(=O)c1cccs1)C1CC1
• InChI: InChI=1S/C23H24N2O3S/c1-27-20-10-7-17(15-21(20)28-13-11-18-5-2-3-12-24-18)16-25(19-8-9-19)23(26)22-6-4-14-29-22/h2-7,10,12,14-15,19H,8-9,11,13,16H2,1H3
• InChIKey: NQQKHJGQTBDBSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-({4-methoxy-3-[2-(pyridin-2-yl)ethoxy]phenyl}methyl)thiophene-2-carboxamide
• Synonyms: N-cyclopropyl-N-{4-methoxy-3-[2-(2-pyridinyl)ethoxy]benzyl}-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6961524
• LogD (pH = 7.4): 3.8810906
• Log P: 3.8841
• Molar Refractivity: 113.2028 cm^3
• Polarizability: 43.557644 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.18
• LOG S: -5.06
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 8