4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C17H19FN2O5S — CID 76511268

IUPAC4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccccc2)c(F)c1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O5S/c1-17(16(22)19-23,26(2,24)25)9-11-20-10-8-13(14(18)15(20)21)12-6-4-3-5-7-12/h3-8,10,23H,9,11H2,1-2H3,(H,19,22)
InChIKeyHOINJJPRIPTWHR-UHFFFAOYSA-N
MW382.41 g/mol
LogP1.35
Rot. Bonds6

About 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 76511268) has the molecular formula C17H19FN2O5S and a molecular weight of 382.41 g/mol. Its IUPAC name is 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID76511268
Molecular FormulaC17H19FN2O5S
Molecular Weight382.41 g/mol
Exact Mass382.10
IUPAC Name4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1ccc(-c2ccccc2)c(F)c1=O)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C17H19FN2O5S/c1-17(16(22)19-23,26(2,24)25)9-11-20-10-8-13(14(18)15(20)21)12-6-4-3-5-7-12/h3-8,10,23H,9,11H2,1-2H3,(H,19,22)
InChIKeyHOINJJPRIPTWHR-UHFFFAOYSA-N
XLogP1.35
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 76511268) is 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1ccc(-c2ccccc2)c(F)c1=O)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is HOINJJPRIPTWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S/c1-17(16(22)19-23,26(2,24)25)9-11-20-10-8-13(14(18)15(20)21)12-6-4-3-5-7-12/h3-8,10,23H,9,11H2,1-2H3,(H,19,22).
What are the key properties of 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 382.41 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-oxo-4-phenyl-1-pyridinyl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 76511268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).