N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

C25H24N2O2S — CID 46132819

About N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 46132819) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• PubChem CID: 46132819
• Molecular Formula: C25H24N2O2S
• Molecular Weight: 416.55 g/mol
• Exact Mass: 416.16
• IUPAC Name: N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• SMILES: CCc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)Cc2ccccc2)cc1
• InChI: InChI=1S/C25H24N2O2S/c1-2-19-10-6-7-11-22(19)27-24(29)17-30-25(27)20-12-14-21(15-13-20)26-23(28)16-18-8-4-3-5-9-18/h3-15,25H,2,16-17H2,1H3,(H,26,28)
• InChIKey: CJMMNYGZJBYQTN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.55
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The IUPAC name of N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 46132819) is N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

What is the SMILES notation for N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The canonical SMILES for N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is CCc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)Cc2ccccc2)cc1.

What is the InChIKey of N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The InChIKey is CJMMNYGZJBYQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-2-19-10-6-7-11-22(19)27-24(29)17-30-25(27)20-12-14-21(15-13-20)26-23(28)16-18-8-4-3-5-9-18/h3-15,25H,2,16-17H2,1H3,(H,26,28).

What are the key properties of N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 416.55 g/mol, XLogP of 5.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 46132819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).