2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide

C24H25N3O3S — CID 3342159

About 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide

2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (PubChem CID 3342159) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
• PubChem CID: 3342159
• Molecular Formula: C24H25N3O3S
• Molecular Weight: 435.55 g/mol
• Exact Mass: 435.16
• IUPAC Name: 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
• SMILES: CCOc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccccc3CC)=C2C#N)cc1
• InChI: InChI=1S/C24H25N3O3S/c1-3-16-7-5-6-8-21(16)26-23(29)15-31-24-20(14-25)19(13-22(28)27-24)17-9-11-18(12-10-17)30-4-2/h5-12,19H,3-4,13,15H2,1-2H3,(H,26,29)(H,27,28)
• InChIKey: VAZFKBOAPDXWFW-UHFFFAOYSA-N
• XLogP: 4.36
• TPSA: 91.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.55
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?

The IUPAC name of 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide (CID 3342159) is 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide.

What is the SMILES notation for 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?

The canonical SMILES for 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide is CCOc1ccc(C2CC(=O)NC(SCC(=O)Nc3ccccc3CC)=C2C#N)cc1.

What is the InChIKey of 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?

The InChIKey is VAZFKBOAPDXWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-3-16-7-5-6-8-21(16)26-23(29)15-31-24-20(14-25)19(13-22(28)27-24)17-9-11-18(12-10-17)30-4-2/h5-12,19H,3-4,13,15H2,1-2H3,(H,26,29)(H,27,28).

What are the key properties of 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide?

2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide has a molecular weight of 435.55 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-cyano-4-(4-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 3342159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).