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

C29H25N3O3S — CID 26568814

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

(2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 26568814) has the molecular formula C29H25N3O3S and a molecular weight of 495.60 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

• Compound Name: (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide
• PubChem CID: 26568814
• Molecular Formula: C29H25N3O3S
• Molecular Weight: 495.60 g/mol
• Exact Mass: 495.16
• IUPAC Name: (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide
• SMILES: CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1
• InChI: InChI=1S/C29H25N3O3S/c1-3-35-24-16-14-21(15-17-24)18-26-28(34)32(23-12-8-5-9-13-23)29(36-26)25(19-30)27(33)31-20(2)22-10-6-4-7-11-22/h4-18,20H,3H2,1-2H3,(H,31,33)/b26-18+,29-25-/t20-/m1/s1
• InChIKey: XXOCMRUCIZRFLB-NYEJGYRBSA-N
• XLogP: 3.68
• TPSA: 84.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.60
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide (CID 26568814) is (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide.

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

The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide is CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1.

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

The InChIKey is XXOCMRUCIZRFLB-NYEJGYRBSA-N. The full InChI is InChI=1S/C29H25N3O3S/c1-3-35-24-16-14-21(15-17-24)18-26-28(34)32(23-12-8-5-9-13-23)29(36-26)25(19-30)27(33)31-20(2)22-10-6-4-7-11-22/h4-18,20H,3H2,1-2H3,(H,31,33)/b26-18+,29-25-/t20-/m1/s1.

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

(2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 495.60 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-cyano-2-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 26568814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).