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

C24H21ClN2O2S — CID 93123942

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

(2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 93123942) has the molecular formula C24H21ClN2O2S and a molecular weight of 436.96 g/mol. Its IUPAC name is (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• PubChem CID: 93123942
• Molecular Formula: C24H21ClN2O2S
• Molecular Weight: 436.96 g/mol
• Exact Mass: 436.10
• IUPAC Name: (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• SMILES: Cc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1
• InChI: InChI=1S/C24H21ClN2O2S/c1-16-9-5-8-14-20(16)27-21(28)15-30-24(27)18-12-6-7-13-19(18)26-23(29)22(25)17-10-3-2-4-11-17/h2-14,22,24H,15H2,1H3,(H,26,29)/t22-,24+/m0/s1
• InChIKey: CLLNHILNHRFDNK-LADGPHEKSA-N
• XLogP: 5.69
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.96
LogP ≤ 5	5.69
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-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The IUPAC name of (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 93123942) is (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

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

The canonical SMILES for (2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is Cc1ccccc1N1C(=O)CS[C@@H]1c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1.

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

The InChIKey is CLLNHILNHRFDNK-LADGPHEKSA-N. The full InChI is InChI=1S/C24H21ClN2O2S/c1-16-9-5-8-14-20(16)27-21(28)15-30-24(27)18-12-6-7-13-19(18)26-23(29)22(25)17-10-3-2-4-11-17/h2-14,22,24H,15H2,1H3,(H,26,29)/t22-,24+/m0/s1.

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

(2S)-2-chloro-N-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 436.96 g/mol, XLogP of 5.69, 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-[2-[(2R)-3-(2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 93123942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).