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

C22H28FN3O5S — CID 23519741

IUPAC(2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](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)/t20-/m1/s1
InChIKeyWKSFJAZVKBWJSO-HXUWFJFHSA-N
MW465.55 g/mol
LogP2.84
Rot. Bonds8

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

(2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (PubChem CID 23519741) has the molecular formula C22H28FN3O5S and a molecular weight of 465.55 g/mol. Its IUPAC name is (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
PubChem CID23519741
Molecular FormulaC22H28FN3O5S
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name(2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide
SMILESCC(C)[C@@H](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)/t20-/m1/s1
InChIKeyWKSFJAZVKBWJSO-HXUWFJFHSA-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'}

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

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Related Compounds

(2R)-N-hydroxy-4-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methyl-2-methylsulfonylbutanamide
CID 88851056
4-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 88851188
(2R)-3-[(5R)-3-[3-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]-N-hydroxy-2-methyl-2-methylsulfonylpropanamide
CID 118469199
4-[4-(4-Fluoro-pyridin-2-yloxy)-benzenesulfonylamino]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 44341977
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-4-ylmethoxy)phenyl]butanamide
CID 51356116
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-[(1-oxidopyridin-1-ium-4-yl)methoxy]phenyl]butanamide
CID 56951130
N-hydroxy-2-methyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663372
N-hydroxy-2-methyl-4-[4-[(6-methyl-3-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663396
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 91663426
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(2-pyridin-4-ylethoxy)phenyl]butanamide
CID 91663433
US11020381, Example 53
CID 137525536
US11020381, Example 173
CID 137525621

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The IUPAC name of (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide (CID 23519741) is (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The canonical SMILES for (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is CC(C)[C@@H](CS(=O)(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cn2)CC1)C(=O)NO.
What is the InChIKey of (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
The InChIKey is WKSFJAZVKBWJSO-HXUWFJFHSA-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)/t20-/m1/s1.
What are the key properties of (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide?
(2R)-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 (2R)-2-[[4-[[5-(4-fluorophenyl)-2-pyridinyl]oxy]piperidin-1-yl]sulfonylmethyl]-N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 23519741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).