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

C27H27ClN2O2S — CID 133202720

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

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (PubChem CID 133202720) has the molecular formula C27H27ClN2O2S and a molecular weight of 479.05 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.

Molecular Properties

• Compound Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
• PubChem CID: 133202720
• Molecular Formula: C27H27ClN2O2S
• Molecular Weight: 479.05 g/mol
• Exact Mass: 478.15
• IUPAC Name: 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide
• SMILES: CC(C)(Cc1ccccc1)NC(=O)c1ccc(C2SCC(=O)N2Cc2ccc(Cl)cc2)cc1
• InChI: InChI=1S/C27H27ClN2O2S/c1-27(2,16-19-6-4-3-5-7-19)29-25(32)21-10-12-22(13-11-21)26-30(24(31)18-33-26)17-20-8-14-23(28)15-9-20/h3-15,26H,16-18H2,1-2H3,(H,29,32)
• InChIKey: ANMOFRMXIPTXMM-UHFFFAOYSA-N
• XLogP: 5.87
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.05
LogP ≤ 5	5.87
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-(2-methyl-1-phenylpropan-2-yl)benzamide?

The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide (CID 133202720) is 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide.

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

The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide is CC(C)(Cc1ccccc1)NC(=O)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-methyl-1-phenylpropan-2-yl)benzamide?

The InChIKey is ANMOFRMXIPTXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2S/c1-27(2,16-19-6-4-3-5-7-19)29-25(32)21-10-12-22(13-11-21)26-30(24(31)18-33-26)17-20-8-14-23(28)15-9-20/h3-15,26H,16-18H2,1-2H3,(H,29,32).

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

4-[3-[(4-chlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]-N-(2-methyl-1-phenylpropan-2-yl)benzamide has a molecular weight of 479.05 g/mol, XLogP of 5.87, 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-(2-methyl-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 133202720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).