4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide

C26H25ClN2O2S — CID 46771532

About 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide (PubChem CID 46771532) has the molecular formula C26H25ClN2O2S and a molecular weight of 465.02 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide
• PubChem CID: 46771532
• Molecular Formula: C26H25ClN2O2S
• Molecular Weight: 465.02 g/mol
• Exact Mass: 464.13
• IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide
• SMILES: CCC(NC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1
• InChI: InChI=1S/C26H25ClN2O2S/c1-2-23(19-6-4-3-5-7-19)28-25(31)20-10-12-21(13-11-20)26-29(24(30)17-32-26)16-18-8-14-22(27)15-9-18/h3-15,23,26H,2,16-17H2,1H3,(H,28,31)
• InChIKey: HRHXOHNJOIWZPO-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.02
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide?

The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide (CID 46771532) is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide.

What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide?

The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1.

What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide?

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

What are the key properties of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide?

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide has a molecular weight of 465.02 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 46771532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).