N-(2-methoxyethyl)-3-pentanamido-N-(1,3-thiazol-2-ylmethyl)benzamide

• ChemBase ID: 558859
• Molecular Formular: C19H25N3O3S
• Molecular Mass: 375.4851
• Monoisotopic Mass: 375.16166268
• SMILES: C(=O)(N(Cc1nccs1)CCOC)c1cc(NC(=O)CCCC)ccc1
• Canonical SMILES: CCCCC(=O)Nc1cccc(c1)C(=O)N(Cc1nccs1)CCOC
• InChI: InChI=1S/C19H25N3O3S/c1-3-4-8-17(23)21-16-7-5-6-15(13-16)19(24)22(10-11-25-2)14-18-20-9-12-26-18/h5-7,9,12-13H,3-4,8,10-11,14H2,1-2H3,(H,21,23)
• InChIKey: SWOCUZPBBFSMFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-pentanamido-N-(1,3-thiazol-2-ylmethyl)benzamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-pentanamido-N-(1,3-thiazol-2-ylmethyl)benzamide
• Synonyms: N-(2-methoxyethyl)-3-(pentanoylamino)-N-(1,3-thiazol-2-ylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.826505
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.507885
• LogD (pH = 7.4): 2.508076
• Log P: 2.5080786
• Molar Refractivity: 103.8132 cm^3
• Polarizability: 39.02111 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.38
• LOG S: -3.97
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 10