6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one

C19H22FNO4S — CID 58368282

IUPAC6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
SMILESCSc1ccc(Cc2c(C(=O)COC[C@H](C)O)ccc(=O)n2C)c(F)c1
InChIInChI=1S/C19H22FNO4S/c1-12(22)10-25-11-18(23)15-6-7-19(24)21(2)17(15)8-13-4-5-14(26-3)9-16(13)20/h4-7,9,12,22H,8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyLXCWEKXGMQUGLP-LBPRGKRZSA-N
MW379.45 g/mol
LogP2.42
Rot. Bonds8

About 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one

6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one (PubChem CID 58368282) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
PubChem CID58368282
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
SMILESCSc1ccc(Cc2c(C(=O)COC[C@H](C)O)ccc(=O)n2C)c(F)c1
InChIInChI=1S/C19H22FNO4S/c1-12(22)10-25-11-18(23)15-6-7-19(24)21(2)17(15)8-13-4-5-14(26-3)9-16(13)20/h4-7,9,12,22H,8,10-11H2,1-3H3/t12-/m0/s1
InChIKeyLXCWEKXGMQUGLP-LBPRGKRZSA-N
XLogP2.42
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368295
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324526
1-[5-[(4-bromo-2-fluorophenyl)methyl]-8-fluoroimidazo[1,5-a]pyridin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324543
5-[(2-fluoro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368313
2-[(4-bromo-2-fluorophenyl)methyl]-N-(2-hydroxyethoxy)-1-methyl-6-oxopyridine-3-carboxamide
CID 58368273
methyl 2-(2-fluoro-4-methylsulfanylphenyl)acetate
CID 91881338
1-[5-[(4-bromo-2-fluorophenyl)methyl]imidazo[1,5-a]pyrazin-6-yl]-2-[(2S)-2-hydroxypropoxy]ethanone
CID 58324535
1,5-bis(2-fluoro-4-methylsulfanylphenyl)pentan-3-one
CID 174941517
5-fluoro-2-(2-fluoro-4-methylsulfanylanilino)-N-[(2S)-2-hydroxypropoxy]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 89155197
1-[4-[(2-fluoro-4-methylsulfanylphenyl)methyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-2-(2-hydroxyethoxy)ethanone
CID 58374289
5-[(2-chloro-4-iodophenyl)methyl]-6-[2-[(2S)-2-hydroxypropoxy]acetyl]-2,4-dimethylpyridazin-3-one
CID 58368269
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The IUPAC name of 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one (CID 58368282) is 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one.
What is the SMILES notation for 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The canonical SMILES for 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one is CSc1ccc(Cc2c(C(=O)COC[C@H](C)O)ccc(=O)n2C)c(F)c1.
What is the InChIKey of 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
The InChIKey is LXCWEKXGMQUGLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-12(22)10-25-11-18(23)15-6-7-19(24)21(2)17(15)8-13-4-5-14(26-3)9-16(13)20/h4-7,9,12,22H,8,10-11H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one?
6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one has a molecular weight of 379.45 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-4-methylsulfanylphenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one is sourced from PubChem (CID 58368282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).