3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

C26H22ClF3N2O2S — CID 3986866

About 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 3986866) has the molecular formula C26H22ClF3N2O2S and a molecular weight of 518.99 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

• Compound Name: 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
• PubChem CID: 3986866
• Molecular Formula: C26H22ClF3N2O2S
• Molecular Weight: 518.99 g/mol
• Exact Mass: 518.10
• IUPAC Name: 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide
• SMILES: CC(NC(=O)C1CSC(c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccc(Cl)cc1)c1ccccc1
• InChI: InChI=1S/C26H22ClF3N2O2S/c1-16(17-5-3-2-4-6-17)31-23(33)22-15-35-25(19-7-11-20(12-8-19)26(28,29)30)32(22)24(34)18-9-13-21(27)14-10-18/h2-14,16,22,25H,15H2,1H3,(H,31,33)
• InChIKey: KFFMMWIKBPRSKO-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.99
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?

The IUPAC name of 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide (CID 3986866) is 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide.

What is the SMILES notation for 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?

The canonical SMILES for 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is CC(NC(=O)C1CSC(c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccc(Cl)cc1)c1ccccc1.

What is the InChIKey of 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?

The InChIKey is KFFMMWIKBPRSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N2O2S/c1-16(17-5-3-2-4-6-17)31-23(33)22-15-35-25(19-7-11-20(12-8-19)26(28,29)30)32(22)24(34)18-9-13-21(27)14-10-18/h2-14,16,22,25H,15H2,1H3,(H,31,33).

What are the key properties of 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide?

3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 518.99 g/mol, XLogP of 6.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorobenzoyl)-N-(1-phenylethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 3986866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).