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

C25H24N2O3S — CID 93127994

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

N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (PubChem CID 93127994) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.

Molecular Properties

• Compound Name: N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
• PubChem CID: 93127994
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide
• SMILES: Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1
• InChI: InChI=1S/C25H24N2O3S/c1-17-11-18(2)13-21(12-17)27-24(29)16-31-25(27)19-7-6-8-20(14-19)26-23(28)15-30-22-9-4-3-5-10-22/h3-14,25H,15-16H2,1-2H3,(H,26,28)/t25-/m0/s1
• InChIKey: MKPLNTKLKRFZPL-VWLOTQADSA-N
• XLogP: 5.10
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide (CID 93127994) is N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide.

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

The canonical SMILES for N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is Cc1cc(C)cc(N2C(=O)CS[C@H]2c2cccc(NC(=O)COc3ccccc3)c2)c1.

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

The InChIKey is MKPLNTKLKRFZPL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-17-11-18(2)13-21(12-17)27-24(29)16-31-25(27)19-7-6-8-20(14-19)26-23(28)15-30-22-9-4-3-5-10-22/h3-14,25H,15-16H2,1-2H3,(H,26,28)/t25-/m0/s1.

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

N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide has a molecular weight of 432.55 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 93127994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).