N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

C26H23F3N2O2S — CID 42807204

About N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 42807204) has the molecular formula C26H23F3N2O2S and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 42807204
• Molecular Formula: C26H23F3N2O2S
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.14
• IUPAC Name: N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• SMILES: CC(C)c1ccccc1N1C(=O)CSC1c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1
• InChI: InChI=1S/C26H23F3N2O2S/c1-16(2)21-5-3-4-6-22(21)31-23(32)15-34-25(31)18-9-13-20(14-10-18)30-24(33)17-7-11-19(12-8-17)26(27,28)29/h3-14,16,25H,15H2,1-2H3,(H,30,33)
• InChIKey: WNOHKWHJTLBYMW-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 42807204) is N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is CC(C)c1ccccc1N1C(=O)CSC1c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1.

What is the InChIKey of N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The InChIKey is WNOHKWHJTLBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2S/c1-16(2)21-5-3-4-6-22(21)31-23(32)15-34-25(31)18-9-13-20(14-10-18)30-24(33)17-7-11-19(12-8-17)26(27,28)29/h3-14,16,25H,15H2,1-2H3,(H,30,33).

What are the key properties of N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 484.54 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 42807204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).