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

C25H23FN2O2S — CID 93127409

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

4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127409) has the molecular formula C25H23FN2O2S and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127409
• Molecular Formula: C25H23FN2O2S
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.15
• IUPAC Name: 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1
• InChI: InChI=1S/C25H23FN2O2S/c1-3-17-10-12-18(13-11-17)24(30)27-20-7-4-6-19(14-20)25-28(23(29)15-31-25)22-9-5-8-21(26)16(22)2/h4-14,25H,3,15H2,1-2H3,(H,27,30)/t25-/m1/s1
• InChIKey: LPWASYYKFKTIMO-RUZDIDTESA-N
• XLogP: 5.73
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127409) is 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCc1ccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3C)c2)cc1.

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

The InChIKey is LPWASYYKFKTIMO-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23FN2O2S/c1-3-17-10-12-18(13-11-17)24(30)27-20-7-4-6-19(14-20)25-28(23(29)15-31-25)22-9-5-8-21(26)16(22)2/h4-14,25H,3,15H2,1-2H3,(H,27,30)/t25-/m1/s1.

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

4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 434.54 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).