4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C19H21FN2O5S — CID 90684311

IUPAC4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)cn1
InChIInChI=1S/C19H21FN2O5S/c1-12(23)17-7-6-15(11-21-17)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyQIQCUYJQGVERQO-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.33
Rot. Bonds7

About 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 90684311) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID90684311
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC Name4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)cn1
InChIInChI=1S/C19H21FN2O5S/c1-12(23)17-7-6-15(11-21-17)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24)
InChIKeyQIQCUYJQGVERQO-UHFFFAOYSA-N
XLogP2.33
TPSA113.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.33
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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Related Compounds

N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(6-phenylpyridin-3-yl)butanamide
CID 51355299
N-Hydroxy-2-methyl-2-(methylsulfonyl)-4-(5-phenylpyridin-2-yl)butanamide
CID 51355300
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-pyridin-3-ylphenyl)butanamide
CID 56950736
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-2-ylphenyl)-1-pyridinyl]butanamide
CID 57325771
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[2-oxo-4-(4-pyridin-4-ylphenyl)-1-pyridinyl]butanamide
CID 57325772
N-[3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-methyl-5-methylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 126733555
N-[3-[(2S,5R)-6-amino-5-(fluoromethyl)-2-methyl-5-methylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 126733763
N-hydroxy-4-[[pyridin-2-ylmethyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]benzamide
CID 155155599
4-[6-(4-acetylphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684287
4-[4-(5-acetyl-2-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684310
(2R)-4-[4-(5-acetyl-2-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684312
(2R)-4-[4-(6-acetyl-3-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684313

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 90684311) is 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(=O)c1ccc(-c2ccc(CCC(C)(C(=O)NO)S(C)(=O)=O)c(F)c2)cn1.
What is the InChIKey of 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is QIQCUYJQGVERQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-12(23)17-7-6-15(11-21-17)14-5-4-13(16(20)10-14)8-9-19(2,18(24)22-25)28(3,26)27/h4-7,10-11,25H,8-9H2,1-3H3,(H,22,24).
What are the key properties of 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 408.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-acetyl-3-pyridinyl)-2-fluorophenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 90684311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).