5-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide

• ChemBase ID: 663590
• Molecular Formular: C24H28N2O3S2
• Molecular Mass: 456.62072
• Monoisotopic Mass: 456.15413477
• SMILES: c1(C(=O)N(Cc2cc(OCCc3c(ncs3)C)ccc2)CC2OCCC2)sc(cc1)C
• Canonical SMILES: Cc1ccc(s1)C(=O)N(Cc1cccc(c1)OCCc1scnc1C)CC1CCCO1
• InChI: InChI=1S/C24H28N2O3S2/c1-17-8-9-23(31-17)24(27)26(15-21-7-4-11-28-21)14-19-5-3-6-20(13-19)29-12-10-22-18(2)25-16-30-22/h3,5-6,8-9,13,16,21H,4,7,10-12,14-15H2,1-2H3
• InChIKey: NXZJARZHBLWKMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-({3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
• Synonyms: 5-methyl-N-{3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)-2-thiophenecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.7498527
• LogD (pH = 7.4): 4.751092
• Log P: 4.751108
• Molar Refractivity: 125.2685 cm^3
• Polarizability: 47.624207 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: 4.61
• LOG S: -5.86
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 9