N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide

• ChemBase ID: 200160
• Molecular Formular: C22H25NO3S
• Molecular Mass: 383.5038
• Monoisotopic Mass: 383.15551467
• SMILES: C(c1occc1)(c1c(OC)cccc1)CCN(C(=O)CC)Cc1sccc1
• Canonical SMILES: CCC(=O)N(Cc1cccs1)CCC(c1ccccc1OC)c1ccco1
• InChI: InChI=1S/C22H25NO3S/c1-3-22(24)23(16-17-8-7-15-27-17)13-12-19(21-11-6-14-26-21)18-9-4-5-10-20(18)25-2/h4-11,14-15,19H,3,12-13,16H2,1-2H3
• InChIKey: YGXGUKLXHMRBFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide

Database IDs

• PubChem SID: 164256070
• PubChem CID: 2957599

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4581013
• LogD (pH = 7.4): 4.4581017
• Log P: 4.4581017
• Molar Refractivity: 107.932 cm^3
• Polarizability: 41.642353 Å^3
• Polar Surface Area: 42.68 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: 2 Diastereomers
• Classification: Derivatives & analogs of Natural Compounds