N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide

C24H21FN2O3S — CID 93127556

About N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide

N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide (PubChem CID 93127556) has the molecular formula C24H21FN2O3S and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
• PubChem CID: 93127556
• Molecular Formula: C24H21FN2O3S
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.13
• IUPAC Name: N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)c1
• InChI: InChI=1S/C24H21FN2O3S/c1-15-9-10-20(25)21(11-15)27-22(28)14-31-24(27)17-6-3-7-18(12-17)26-23(29)16-5-4-8-19(13-16)30-2/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1
• InChIKey: QAIDJZOWTFMJOE-DEOSSOPVSA-N
• XLogP: 5.17
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide (CID 93127556) is N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide.

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

The canonical SMILES for N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc([C@@H]3SCC(=O)N3c3cc(C)ccc3F)c2)c1.

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

The InChIKey is QAIDJZOWTFMJOE-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H21FN2O3S/c1-15-9-10-20(25)21(11-15)27-22(28)14-31-24(27)17-6-3-7-18(12-17)26-23(29)16-5-4-8-19(13-16)30-2/h3-13,24H,14H2,1-2H3,(H,26,29)/t24-/m0/s1.

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

N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide has a molecular weight of 436.51 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 93127556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).