N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide

C26H26N2O3S — CID 93005213

About N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide

N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 93005213) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
• PubChem CID: 93005213
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide
• SMILES: COc1ccc(CC(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)cc(C)c3)cc2)cc1
• InChI: InChI=1S/C26H26N2O3S/c1-17-12-18(2)14-22(13-17)28-25(30)16-32-26(28)20-6-8-21(9-7-20)27-24(29)15-19-4-10-23(31-3)11-5-19/h4-14,26H,15-16H2,1-3H3,(H,27,29)/t26-/m0/s1
• InChIKey: UJSBMFZSUJYVSI-SANMLTNESA-N
• XLogP: 5.27
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide (CID 93005213) is N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide.

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

The canonical SMILES for N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc([C@@H]3SCC(=O)N3c3cc(C)cc(C)c3)cc2)cc1.

What is the InChIKey of N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide?

The InChIKey is UJSBMFZSUJYVSI-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-17-12-18(2)14-22(13-17)28-25(30)16-32-26(28)20-6-8-21(9-7-20)27-24(29)15-19-4-10-23(31-3)11-5-19/h4-14,26H,15-16H2,1-3H3,(H,27,29)/t26-/m0/s1.

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

N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 446.57 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 93005213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).