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

C26H25ClN2O3S — CID 133164093

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

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide (PubChem CID 133164093) has the molecular formula C26H25ClN2O3S and a molecular weight of 481.02 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide
• PubChem CID: 133164093
• Molecular Formula: C26H25ClN2O3S
• Molecular Weight: 481.02 g/mol
• Exact Mass: 480.13
• IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide
• SMILES: O=C(NCCOCc1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C26H25ClN2O3S/c27-23-12-6-19(7-13-23)16-29-24(30)18-33-26(29)22-10-8-21(9-11-22)25(31)28-14-15-32-17-20-4-2-1-3-5-20/h1-13,26H,14-18H2,(H,28,31)
• InChIKey: SBJVZJAAXRSVEZ-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.02
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide (CID 133164093) is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide.

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

The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide is O=C(NCCOCc1ccccc1)c1ccc(C2SCC(=O)N2Cc2ccc(Cl)cc2)cc1.

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

The InChIKey is SBJVZJAAXRSVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3S/c27-23-12-6-19(7-13-23)16-29-24(30)18-33-26(29)22-10-8-21(9-11-22)25(31)28-14-15-32-17-20-4-2-1-3-5-20/h1-13,26H,14-18H2,(H,28,31).

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

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-phenylmethoxyethyl)benzamide has a molecular weight of 481.02 g/mol, XLogP of 5.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 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-(2-phenylmethoxyethyl)benzamide is sourced from PubChem (CID 133164093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).