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

C23H19FN2O2S — CID 93127375

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

N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127375) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127375
• Molecular Formula: C23H19FN2O2S
• Molecular Weight: 406.48 g/mol
• Exact Mass: 406.12
• IUPAC Name: N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2)c1
• InChI: InChI=1S/C23H19FN2O2S/c1-15-19(24)11-6-12-20(15)26-21(27)14-29-23(26)17-9-5-10-18(13-17)25-22(28)16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,25,28)/t23-/m0/s1
• InChIKey: SUEZVFUTVRRDOF-QHCPKHFHSA-N
• XLogP: 5.17
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.48
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127375) is N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1c(F)cccc1N1C(=O)CS[C@H]1c1cccc(NC(=O)c2ccccc2)c1.

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

The InChIKey is SUEZVFUTVRRDOF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c1-15-19(24)11-6-12-20(15)26-21(27)14-29-23(26)17-9-5-10-18(13-17)25-22(28)16-7-3-2-4-8-16/h2-13,23H,14H2,1H3,(H,25,28)/t23-/m0/s1.

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

N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 406.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).