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

C18H17FN4O2S — CID 8806992

IUPAC(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-5-11(19)7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m0/s1
InChIKeyIQCHABQIBVTFQZ-GXFFZTMASA-N
MW372.43 g/mol
LogP2.92
Rot. Bonds4

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

(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide (PubChem CID 8806992) has the molecular formula C18H17FN4O2S and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
PubChem CID8806992
Molecular FormulaC18H17FN4O2S
Molecular Weight372.43 g/mol
Exact Mass372.11
IUPAC Name(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
SMILESC[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1cccc(F)c1
InChIInChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-5-11(19)7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m0/s1
InChIKeyIQCHABQIBVTFQZ-GXFFZTMASA-N
XLogP2.92
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)propanamide
CID 7637162
(2R)-N-(4-acetamidophenyl)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7613861
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3,4-dimethoxyphenyl)propanamide
CID 8807026
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 25402033
(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
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]propanamide
CID 7614073
(2R)-2-[[(3S)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 8806826
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
(2R)-2-[(6-amino-3,5-dicyano-2-pyridinyl)sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8940726
(2S)-2-[[4-amino-5-[(4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluorophenyl)propanamide
CID 8996184
2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 7613760
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8736843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide (CID 8806992) is (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide is C[C@H](SC1=C(C#N)C(C)(C)[C@H](C#N)C(=O)N1)C(=O)Nc1cccc(F)c1.
What is the InChIKey of (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide?
The InChIKey is IQCHABQIBVTFQZ-GXFFZTMASA-N. The full InChI is InChI=1S/C18H17FN4O2S/c1-10(15(24)22-12-6-4-5-11(19)7-12)26-17-14(9-21)18(2,3)13(8-20)16(25)23-17/h4-7,10,13H,1-3H3,(H,22,24)(H,23,25)/t10-,13+/m0/s1.
What are the key properties of (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide?
(2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide has a molecular weight of 372.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R)-3,5-dicyano-4,4-dimethyl-2-oxo-1,3-dihydropyridin-6-yl]sulfanyl]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 8806992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).