(2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

C25H23ClN2O2S — CID 93125271

About (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide

(2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 93125271) has the molecular formula C25H23ClN2O2S and a molecular weight of 450.99 g/mol. Its IUPAC name is (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• PubChem CID: 93125271
• Molecular Formula: C25H23ClN2O2S
• Molecular Weight: 450.99 g/mol
• Exact Mass: 450.12
• IUPAC Name: (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• SMILES: Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1
• InChI: InChI=1S/C25H23ClN2O2S/c1-16-11-12-17(2)21(13-16)28-22(29)15-31-25(28)19-9-6-10-20(14-19)27-24(30)23(26)18-7-4-3-5-8-18/h3-14,23,25H,15H2,1-2H3,(H,27,30)/t23-,25-/m0/s1
• InChIKey: UNNHFTJYUHYBIP-ZCYQVOJMSA-N
• XLogP: 6.00
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.99
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The IUPAC name of (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 93125271) is (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

What is the SMILES notation for (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The canonical SMILES for (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is Cc1ccc(C)c(N2C(=O)CS[C@H]2c2cccc(NC(=O)[C@@H](Cl)c3ccccc3)c2)c1.

What is the InChIKey of (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The InChIKey is UNNHFTJYUHYBIP-ZCYQVOJMSA-N. The full InChI is InChI=1S/C25H23ClN2O2S/c1-16-11-12-17(2)21(13-16)28-22(29)15-31-25(28)19-9-6-10-20(14-19)27-24(30)23(26)18-7-4-3-5-8-18/h3-14,23,25H,15H2,1-2H3,(H,27,30)/t23-,25-/m0/s1.

What are the key properties of (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

(2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 450.99 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-chloro-N-[3-[(2S)-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 93125271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).