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

C22H19FN4O3S — CID 1080564

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

N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (PubChem CID 1080564) has the molecular formula C22H19FN4O3S and a molecular weight of 438.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
• PubChem CID: 1080564
• Molecular Formula: C22H19FN4O3S
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.12
• IUPAC Name: N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
• SMILES: CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1
• InChI: InChI=1S/C22H19FN4O3S/c1-13(28)25-14-6-8-15(9-7-14)26-21(30)12-31-22-18(11-24)17(10-20(29)27-22)16-4-2-3-5-19(16)23/h2-9,17H,10,12H2,1H3,(H,25,28)(H,26,30)(H,27,29)/t17-/m0/s1
• InChIKey: HSKXVCKYVQXYNM-KRWDZBQOSA-N
• XLogP: 3.49
• TPSA: 111.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide (CID 1080564) is N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.

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

The canonical SMILES for N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2)cc1.

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

The InChIKey is HSKXVCKYVQXYNM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H19FN4O3S/c1-13(28)25-14-6-8-15(9-7-14)26-21(30)12-31-22-18(11-24)17(10-20(29)27-22)16-4-2-3-5-19(16)23/h2-9,17H,10,12H2,1H3,(H,25,28)(H,26,30)(H,27,29)/t17-/m0/s1.

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

N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide has a molecular weight of 438.48 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetamidophenyl)-2-[[(4S)-5-cyano-4-(2-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide is sourced from PubChem (CID 1080564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).