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

C27H20ClN3O3S — CID 3531048

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

N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (PubChem CID 3531048) 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-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• PubChem CID: 3531048
• Molecular Formula: C27H20ClN3O3S
• Molecular Weight: 502.00 g/mol
• Exact Mass: 501.09
• IUPAC Name: N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide
• SMILES: CCOc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C27H20ClN3O3S/c1-2-34-23-15-9-6-10-18(23)16-24-26(33)31(19-11-4-3-5-12-19)27(35-24)20(17-29)25(32)30-22-14-8-7-13-21(22)28/h3-16H,2H2,1H3,(H,30,32)
• InChIKey: ZAPCNTKHNWHWTH-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-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide (CID 3531048) is N-(2-chlorophenyl)-2-cyano-2-[5-[(2-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-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is CCOc1ccccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2Cl)n(-c2ccccc2)c1=O.

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

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

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

N-(2-chlorophenyl)-2-cyano-2-[5-[(2-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-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]acetamide is sourced from PubChem (CID 3531048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).