2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

C22H19Cl2N3O3S — CID 11836371

About 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide

2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 11836371) has the molecular formula C22H19Cl2N3O3S and a molecular weight of 476.39 g/mol. Its IUPAC name is 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
• PubChem CID: 11836371
• Molecular Formula: C22H19Cl2N3O3S
• Molecular Weight: 476.39 g/mol
• Exact Mass: 475.05
• IUPAC Name: 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide
• SMILES: C=CCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1cccc(C(C)=O)c1
• InChI: InChI=1S/C22H19Cl2N3O3S/c1-3-10-27-21(30)18(12-19(29)26-17-9-5-8-16(23)20(17)24)31-22(27)25-15-7-4-6-14(11-15)13(2)28/h3-9,11,18H,1,10,12H2,2H3,(H,26,29)/b25-22-
• InChIKey: PINQPSGOIZWOKL-LVWGJNHUSA-N
• XLogP: 5.34
• TPSA: 78.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.39
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?

The IUPAC name of 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide (CID 11836371) is 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide.

What is the SMILES notation for 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?

The canonical SMILES for 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is C=CCN1C(=O)C(CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1cccc(C(C)=O)c1.

What is the InChIKey of 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?

The InChIKey is PINQPSGOIZWOKL-LVWGJNHUSA-N. The full InChI is InChI=1S/C22H19Cl2N3O3S/c1-3-10-27-21(30)18(12-19(29)26-17-9-5-8-16(23)20(17)24)31-22(27)25-15-7-4-6-14(11-15)13(2)28/h3-9,11,18H,1,10,12H2,2H3,(H,26,29)/b25-22-.

What are the key properties of 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide?

2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 476.39 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-acetylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 11836371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).