N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide

C23H28N2O2S — CID 42806134

About N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide

N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide (PubChem CID 42806134) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide.

Molecular Properties

• Compound Name: N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide
• PubChem CID: 42806134
• Molecular Formula: C23H28N2O2S
• Molecular Weight: 396.56 g/mol
• Exact Mass: 396.19
• IUPAC Name: N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide
• SMILES: CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)CC(C)(C)C)c1
• InChI: InChI=1S/C23H28N2O2S/c1-5-16-9-6-7-12-19(16)25-21(27)15-28-22(25)17-10-8-11-18(13-17)24-20(26)14-23(2,3)4/h6-13,22H,5,14-15H2,1-4H3,(H,24,26)
• InChIKey: YSHBLJAMNJHSAI-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.56
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide?

The IUPAC name of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide (CID 42806134) is N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide.

What is the SMILES notation for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide?

The canonical SMILES for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide is CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)CC(C)(C)C)c1.

What is the InChIKey of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide?

The InChIKey is YSHBLJAMNJHSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-5-16-9-6-7-12-19(16)25-21(27)15-28-22(25)17-10-8-11-18(13-17)24-20(26)14-23(2,3)4/h6-13,22H,5,14-15H2,1-4H3,(H,24,26).

What are the key properties of N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide?

N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide has a molecular weight of 396.56 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 42806134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).