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

C29H25N3O3S — CID 4315393

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

2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (PubChem CID 4315393) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
• PubChem CID: 4315393
• Molecular Formula: C29H25N3O3S
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.16
• IUPAC Name: 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide
• SMILES: CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCc2ccccc2)n(-c2ccccc2)c1=O
• InChI: InChI=1S/C29H25N3O3S/c1-2-35-25-16-10-9-13-22(25)19-26-28(34)32(23-14-7-4-8-15-23)29(36-26)24(20-30)27(33)31-18-17-21-11-5-3-6-12-21/h3-16,19H,2,17-18H2,1H3,(H,31,33)
• InChIKey: DXJNWNZYLARQAK-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide (CID 4315393) is 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide.

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

The canonical SMILES for 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is CCOc1ccccc1C=c1sc(=C(C#N)C(=O)NCCc2ccccc2)n(-c2ccccc2)c1=O.

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

The InChIKey is DXJNWNZYLARQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O3S/c1-2-35-25-16-10-9-13-22(25)19-26-28(34)32(23-14-7-4-8-15-23)29(36-26)24(20-30)27(33)31-18-17-21-11-5-3-6-12-21/h3-16,19H,2,17-18H2,1H3,(H,31,33).

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

2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide has a molecular weight of 495.60 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyano-2-[5-[(2-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4315393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).