N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide

C24H24N2O2S2 — CID 93125029

About N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide

N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 93125029) has the molecular formula C24H24N2O2S2 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

• Compound Name: N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
• PubChem CID: 93125029
• Molecular Formula: C24H24N2O2S2
• Molecular Weight: 436.60 g/mol
• Exact Mass: 436.13
• IUPAC Name: N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide
• SMILES: CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1
• InChI: InChI=1S/C24H24N2O2S2/c1-16(2)17-8-10-20(11-9-17)26-23(28)15-30-24(26)18-5-3-6-19(13-18)25-22(27)14-21-7-4-12-29-21/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)/t24-/m0/s1
• InChIKey: ZDOCROZTFHGHSW-DEOSSOPVSA-N
• XLogP: 5.83
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.60
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The IUPAC name of N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide (CID 93125029) is N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide.

What is the SMILES notation for N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The canonical SMILES for N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide is CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc(NC(=O)Cc3cccs3)c2)cc1.

What is the InChIKey of N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

The InChIKey is ZDOCROZTFHGHSW-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H24N2O2S2/c1-16(2)17-8-10-20(11-9-17)26-23(28)15-30-24(26)18-5-3-6-19(13-18)25-22(27)14-21-7-4-12-29-21/h3-13,16,24H,14-15H2,1-2H3,(H,25,27)/t24-/m0/s1.

What are the key properties of N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide?

N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 436.60 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2S)-4-oxo-3-(4-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 93125029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).