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

C24H19F3N2O2S — CID 93124944

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

N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 93124944) has the molecular formula C24H19F3N2O2S and a molecular weight of 456.49 g/mol. Its IUPAC name is N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 93124944
• Molecular Formula: C24H19F3N2O2S
• Molecular Weight: 456.49 g/mol
• Exact Mass: 456.11
• IUPAC Name: N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1
• InChI: InChI=1S/C24H19F3N2O2S/c1-15-5-2-10-20(11-15)29-21(30)14-32-23(29)17-7-4-9-19(13-17)28-22(31)16-6-3-8-18(12-16)24(25,26)27/h2-13,23H,14H2,1H3,(H,28,31)/t23-/m1/s1
• InChIKey: LBFCYIAFJCGLHK-HSZRJFAPSA-N
• XLogP: 6.04
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.49
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 93124944) is N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

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

The canonical SMILES for N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1cccc(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1.

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

The InChIKey is LBFCYIAFJCGLHK-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19F3N2O2S/c1-15-5-2-10-20(11-15)29-21(30)14-32-23(29)17-7-4-9-19(13-17)28-22(31)16-6-3-8-18(12-16)24(25,26)27/h2-13,23H,14H2,1H3,(H,28,31)/t23-/m1/s1.

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

N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 456.49 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 93124944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).