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

C26H25ClN2O2S — CID 93127319

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

(2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 93127319) has the molecular formula C26H25ClN2O2S and a molecular weight of 465.02 g/mol. Its IUPAC name is (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• PubChem CID: 93127319
• Molecular Formula: C26H25ClN2O2S
• Molecular Weight: 465.02 g/mol
• Exact Mass: 464.13
• IUPAC Name: (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• SMILES: CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1
• InChI: InChI=1S/C26H25ClN2O2S/c1-17(2)21-10-6-7-11-22(21)29-23(30)16-32-26(29)19-12-14-20(15-13-19)28-25(31)24(27)18-8-4-3-5-9-18/h3-15,17,24,26H,16H2,1-2H3,(H,28,31)/t24-,26-/m0/s1
• InChIKey: OVSUEIDDYPBGGB-AHWVRZQESA-N
• XLogP: 6.51
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.02
LogP ≤ 5	6.51
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-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide?

The IUPAC name of (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 93127319) is (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

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

The canonical SMILES for (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is CC(C)c1ccccc1N1C(=O)CS[C@H]1c1ccc(NC(=O)[C@@H](Cl)c2ccccc2)cc1.

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

The InChIKey is OVSUEIDDYPBGGB-AHWVRZQESA-N. The full InChI is InChI=1S/C26H25ClN2O2S/c1-17(2)21-10-6-7-11-22(21)29-23(30)16-32-26(29)19-12-14-20(15-13-19)28-25(31)24(27)18-8-4-3-5-9-18/h3-15,17,24,26H,16H2,1-2H3,(H,28,31)/t24-,26-/m0/s1.

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

(2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 465.02 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-chloro-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 93127319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).