5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one

C18H23FN2O5S — CID 151907638

IUPAC5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-c2cc(=O)n(CC[C@](C)(CNO)S(C)(=O)=O)cc2F)c1
InChIInChI=1S/C18H23FN2O5S/c1-18(12-20-23,27(3,24)25)7-8-21-11-16(19)15(10-17(21)22)13-5-4-6-14(9-13)26-2/h4-6,9-11,20,23H,7-8,12H2,1-3H3/t18-/m1/s1
InChIKeySUBSEVNCGMBXJF-GOSISDBHSA-N
MW398.46 g/mol
LogP1.84
Rot. Bonds8

About 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one

5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one (PubChem CID 151907638) has the molecular formula C18H23FN2O5S and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one
PubChem CID151907638
Molecular FormulaC18H23FN2O5S
Molecular Weight398.46 g/mol
Exact Mass398.13
IUPAC Name5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one
SMILESCOc1cccc(-c2cc(=O)n(CC[C@](C)(CNO)S(C)(=O)=O)cc2F)c1
InChIInChI=1S/C18H23FN2O5S/c1-18(12-20-23,27(3,24)25)7-8-21-11-16(19)15(10-17(21)22)13-5-4-6-14(9-13)26-2/h4-6,9-11,20,23H,7-8,12H2,1-3H3/t18-/m1/s1
InChIKeySUBSEVNCGMBXJF-GOSISDBHSA-N
XLogP1.84
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[5-fluoro-2-oxo-4-[4-(trideuteriomethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880231
5-fluoro-4-(2-fluoro-4-methoxyphenyl)-1-[(3R)-5-hydroxy-3-methyl-3-methylsulfonyl-4-oxopentyl]pyridin-2-one
CID 149232899
4-[5-fluoro-2-oxo-4-[4-(trifluoromethoxy)phenyl]-1-pyridinyl]-N-hydroxy-2,2-dimethylbutanamide
CID 88887215
4-[5-fluoro-4-[4-(1,2-oxazol-3-yl)phenyl]-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88880105
4-fluoro-3-(3-methoxyphenyl)benzenesulfonyl chloride
CID 82308389
(2R)-4-[6-(2-fluoro-4-methoxyphenyl)-1-oxoisoquinolin-2-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 129217838
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
3-fluoro-5-(3-methoxyphenyl)-4-methylbenzoic acid
CID 176508636
methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
CID 117222897
8-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]quinazolin-2-one
CID 102232672

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one?
The IUPAC name of 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one (CID 151907638) is 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one is COc1cccc(-c2cc(=O)n(CC[C@](C)(CNO)S(C)(=O)=O)cc2F)c1.
What is the InChIKey of 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one?
The InChIKey is SUBSEVNCGMBXJF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H23FN2O5S/c1-18(12-20-23,27(3,24)25)7-8-21-11-16(19)15(10-17(21)22)13-5-4-6-14(9-13)26-2/h4-6,9-11,20,23H,7-8,12H2,1-3H3/t18-/m1/s1.
What are the key properties of 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one?
5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one has a molecular weight of 398.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(3R)-4-(hydroxyamino)-3-methyl-3-methylsulfonylbutyl]-4-(3-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 151907638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).