2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide

C22H28FN3O5S — CID 22646713

IUPAC2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(CS(=O)(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cn2)CC1)C(=O)NO
InChIInChI=1S/C22H28FN3O5S/c1-15(2)20(22(27)25-28)14-32(29,30)26-11-9-19(10-12-26)31-21-8-5-17(13-24-21)16-3-6-18(23)7-4-16/h3-8,13,15,19-20,28H,9-12,14H2,1-2H3,(H,25,27)
InChIKeyWKSFJAZVKBWJSO-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.84
Rot. Bonds8

About 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide

2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (PubChem CID 22646713) has the molecular formula C22H28FN3O5S and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
PubChem CID22646713
Molecular FormulaC22H28FN3O5S
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)C(CS(=O)(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cn2)CC1)C(=O)NO
InChIInChI=1S/C22H28FN3O5S/c1-15(2)20(22(27)25-28)14-32(29,30)26-11-9-19(10-12-26)31-21-8-5-17(13-24-21)16-3-6-18(23)7-4-16/h3-8,13,15,19-20,28H,9-12,14H2,1-2H3,(H,25,27)
InChIKeyWKSFJAZVKBWJSO-UHFFFAOYSA-N
XLogP2.84
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.84
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 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (CID 22646713) is 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is CC(C)C(CS(=O)(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cn2)CC1)C(=O)NO.
What is the InChIKey of 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The InChIKey is WKSFJAZVKBWJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O5S/c1-15(2)20(22(27)25-28)14-32(29,30)26-11-9-19(10-12-26)31-21-8-5-17(13-24-21)16-3-6-18(23)7-4-16/h3-8,13,15,19-20,28H,9-12,14H2,1-2H3,(H,25,27).
What are the key properties of 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide has a molecular weight of 465.55 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 22646713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).