N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

C24H18F4N2O2S — CID 93127563

About N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 93127563) has the molecular formula C24H18F4N2O2S and a molecular weight of 474.48 g/mol. Its IUPAC name is N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• PubChem CID: 93127563
• Molecular Formula: C24H18F4N2O2S
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.10
• IUPAC Name: N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide
• SMILES: Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1
• InChI: InChI=1S/C24H18F4N2O2S/c1-14-5-10-19(25)20(11-14)30-21(31)13-33-23(30)16-3-2-4-18(12-16)29-22(32)15-6-8-17(9-7-15)24(26,27)28/h2-12,23H,13H2,1H3,(H,29,32)/t23-/m1/s1
• InChIKey: BKOGGZHEJUTIPS-HSZRJFAPSA-N
• XLogP: 6.18
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 93127563) is N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)c1.

What is the InChIKey of N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

The InChIKey is BKOGGZHEJUTIPS-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H18F4N2O2S/c1-14-5-10-19(25)20(11-14)30-21(31)13-33-23(30)16-3-2-4-18(12-16)29-22(32)15-6-8-17(9-7-15)24(26,27)28/h2-12,23H,13H2,1H3,(H,29,32)/t23-/m1/s1.

What are the key properties of N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide?

N-[3-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 474.48 g/mol, XLogP of 6.18, 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-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 93127563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).