(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'}

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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).