2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide

C23H20N4O2S — CID 8679264

About 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide (PubChem CID 8679264) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
• PubChem CID: 8679264
• Molecular Formula: C23H20N4O2S
• Molecular Weight: 416.51 g/mol
• Exact Mass: 416.13
• IUPAC Name: 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide
• SMILES: CC1(C)C(C#N)=C(SCC(=O)Nc2ccc(-c3ccccc3)cc2)NC(=O)[C@H]1C#N
• InChI: InChI=1S/C23H20N4O2S/c1-23(2)18(12-24)21(29)27-22(19(23)13-25)30-14-20(28)26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,14H2,1-2H3,(H,26,28)(H,27,29)/t18-/m1/s1
• InChIKey: WCNXODBYBLLTIO-GOSISDBHSA-N
• XLogP: 4.06
• TPSA: 105.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.51
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide?

The IUPAC name of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide (CID 8679264) is 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide.

What is the SMILES notation for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide?

The canonical SMILES for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide is CC1(C)C(C#N)=C(SCC(=O)Nc2ccc(-c3ccccc3)cc2)NC(=O)[C@H]1C#N.

What is the InChIKey of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide?

The InChIKey is WCNXODBYBLLTIO-GOSISDBHSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-23(2)18(12-24)21(29)27-22(19(23)13-25)30-14-20(28)26-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18H,14H2,1-2H3,(H,26,28)(H,27,29)/t18-/m1/s1.

What are the key properties of 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide?

2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 8679264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).