N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

C27H20ClN3O3S — CID 4209516

About N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide

N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 4209516) has the molecular formula C27H20ClN3O3S and a molecular weight of 502.00 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 4209516
• Molecular Formula: C27H20ClN3O3S
• Molecular Weight: 502.00 g/mol
• Exact Mass: 501.09
• IUPAC Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3Cl)n(-c3ccccc3)c2=O)cc1
• InChI: InChI=1S/C27H20ClN3O3S/c1-2-34-20-14-12-18(13-15-20)16-24-26(33)31(19-8-4-3-5-9-19)27(35-24)21(17-29)25(32)30-23-11-7-6-10-22(23)28/h3-16H,2H2,1H3,(H,30,32)
• InChIKey: IROGBOPWNLSMOS-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.00
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 4209516) is N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is CCOc1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3Cl)n(-c3ccccc3)c2=O)cc1.

What is the InChIKey of N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The InChIKey is IROGBOPWNLSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3O3S/c1-2-34-20-14-12-18(13-15-20)16-24-26(33)31(19-8-4-3-5-9-19)27(35-24)21(17-29)25(32)30-23-11-7-6-10-22(23)28/h3-16H,2H2,1H3,(H,30,32).

What are the key properties of N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide has a molecular weight of 502.00 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-cyano-2-[5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 4209516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).