(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

C24H26ClN3O3S — CID 26281154

About (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione

(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 26281154) has the molecular formula C24H26ClN3O3S and a molecular weight of 472.01 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
• PubChem CID: 26281154
• Molecular Formula: C24H26ClN3O3S
• Molecular Weight: 472.01 g/mol
• Exact Mass: 471.14
• IUPAC Name: (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
• SMILES: O=C1C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2Cl)C(=O)N1C1CCCC1
• InChI: InChI=1S/C24H26ClN3O3S/c25-18-9-4-3-8-17(18)24(15-21(30)28(23(24)31)16-6-1-2-7-16)14-20(29)27-12-5-10-19(27)22-26-11-13-32-22/h3-4,8-9,11,13,16,19H,1-2,5-7,10,12,14-15H2/t19-,24+/m0/s1
• InChIKey: KOYKEUNTDRKAOU-YADARESESA-N
• XLogP: 4.49
• TPSA: 70.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.01
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 26281154) is (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1C[C@](CC(=O)N2CCC[C@H]2c2nccs2)(c2ccccc2Cl)C(=O)N1C1CCCC1.

What is the InChIKey of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

The InChIKey is KOYKEUNTDRKAOU-YADARESESA-N. The full InChI is InChI=1S/C24H26ClN3O3S/c25-18-9-4-3-8-17(18)24(15-21(30)28(23(24)31)16-6-1-2-7-16)14-20(29)27-12-5-10-19(27)22-26-11-13-32-22/h3-4,8-9,11,13,16,19H,1-2,5-7,10,12,14-15H2/t19-,24+/m0/s1.

What are the key properties of (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione?

(3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 472.01 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(2-chlorophenyl)-1-cyclopentyl-3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 26281154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).