(2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide

C19H19ClN4O2S — CID 8806994

About (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide

(2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide (PubChem CID 8806994) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide.

Molecular Properties

• Compound Name: (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
• PubChem CID: 8806994
• Molecular Formula: C19H19ClN4O2S
• Molecular Weight: 402.91 g/mol
• Exact Mass: 402.09
• IUPAC Name: (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
• SMILES: Cc1c(Cl)cccc1NC(=O)[C@@H](C)SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1
• InChI: InChI=1S/C19H19ClN4O2S/c1-10-14(20)6-5-7-15(10)23-16(25)11(2)27-18-13(9-22)19(3,4)12(8-21)17(26)24-18/h5-7,11-12H,1-4H3,(H,23,25)(H,24,26)/t11-,12+/m1/s1
• InChIKey: IMJZWYOXMIIHRE-NEPJUHHUSA-N
• XLogP: 3.74
• TPSA: 105.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.91
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide (CID 8806994) is (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide.

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

The canonical SMILES for (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide is Cc1c(Cl)cccc1NC(=O)[C@@H](C)SC1=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N1.

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

The InChIKey is IMJZWYOXMIIHRE-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-10-14(20)6-5-7-15(10)23-16(25)11(2)27-18-13(9-22)19(3,4)12(8-21)17(26)24-18/h5-7,11-12H,1-4H3,(H,23,25)(H,24,26)/t11-,12+/m1/s1.

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

(2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide has a molecular weight of 402.91 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-chloro-2-methylphenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide is sourced from PubChem (CID 8806994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).