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

C24H18F4N2O2S — CID 93127005

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

2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide (PubChem CID 93127005) has the molecular formula C24H18F4N2O2S and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide
• PubChem CID: 93127005
• Molecular Formula: C24H18F4N2O2S
• Molecular Weight: 474.48 g/mol
• Exact Mass: 474.10
• IUPAC Name: 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide
• SMILES: O=C(Cc1ccc(F)cc1)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1
• InChI: InChI=1S/C24H18F4N2O2S/c25-18-8-4-15(5-9-18)12-21(31)29-19-3-1-2-16(13-19)23-30(22(32)14-33-23)20-10-6-17(7-11-20)24(26,27)28/h1-11,13,23H,12,14H2,(H,29,31)/t23-/m1/s1
• InChIKey: XGGAFYLYVVMRJT-HSZRJFAPSA-N
• XLogP: 5.80
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.48
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide (CID 93127005) is 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C(F)(F)F)cc2)c1.

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

The InChIKey is XGGAFYLYVVMRJT-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H18F4N2O2S/c25-18-8-4-15(5-9-18)12-21(31)29-19-3-1-2-16(13-19)23-30(22(32)14-33-23)20-10-6-17(7-11-20)24(26,27)28/h1-11,13,23H,12,14H2,(H,29,31)/t23-/m1/s1.

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

2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide has a molecular weight of 474.48 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 93127005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).