2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

C23H26ClN3O3S — CID 42994090

About 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide

2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 42994090) has the molecular formula C23H26ClN3O3S and a molecular weight of 460.00 g/mol. Its IUPAC name is 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 42994090
• Molecular Formula: C23H26ClN3O3S
• Molecular Weight: 460.00 g/mol
• Exact Mass: 459.14
• IUPAC Name: 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
• SMILES: COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C)c(Cl)c1
• InChI: InChI=1S/C23H26ClN3O3S/c1-14-5-6-16(3)19(11-14)26-21(28)13-20-22(29)27(9-10-30-4)23(31-20)25-17-8-7-15(2)18(24)12-17/h5-8,11-12,20H,9-10,13H2,1-4H3,(H,26,28)/b25-23-
• InChIKey: OUCMBIGAWNAFTC-BZZOAKBMSA-N
• XLogP: 4.87
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.00
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 42994090) is 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?

The canonical SMILES for 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is COCCN1C(=O)C(CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C)c(Cl)c1.

What is the InChIKey of 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?

The InChIKey is OUCMBIGAWNAFTC-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H26ClN3O3S/c1-14-5-6-16(3)19(11-14)26-21(28)13-20-22(29)27(9-10-30-4)23(31-20)25-17-8-7-15(2)18(24)12-17/h5-8,11-12,20H,9-10,13H2,1-4H3,(H,26,28)/b25-23-.

What are the key properties of 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?

2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 460.00 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-chloro-4-methylphenyl)imino-3-(2-methoxyethyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 42994090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).