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

C24H19F3N2O3S — CID 93126951

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

4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93126951) has the molecular formula C24H19F3N2O3S and a molecular weight of 472.49 g/mol. Its IUPAC name is 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93126951
• Molecular Formula: C24H19F3N2O3S
• Molecular Weight: 472.49 g/mol
• Exact Mass: 472.11
• IUPAC Name: 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(F)(F)F)cc3)c2)cc1
• InChI: InChI=1S/C24H19F3N2O3S/c1-32-20-11-5-15(6-12-20)22(31)28-18-4-2-3-16(13-18)23-29(21(30)14-33-23)19-9-7-17(8-10-19)24(25,26)27/h2-13,23H,14H2,1H3,(H,28,31)/t23-/m1/s1
• InChIKey: REFRYFIJUNLLFZ-HSZRJFAPSA-N
• XLogP: 5.74
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.49
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93126951) is 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide is COc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C(F)(F)F)cc3)c2)cc1.

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

The InChIKey is REFRYFIJUNLLFZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H19F3N2O3S/c1-32-20-11-5-15(6-12-20)22(31)28-18-4-2-3-16(13-18)23-29(21(30)14-33-23)19-9-7-17(8-10-19)24(25,26)27/h2-13,23H,14H2,1H3,(H,28,31)/t23-/m1/s1.

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

4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 472.49 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[3-[(2R)-4-oxo-3-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93126951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).