N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide

C22H26F3N3O5S — CID 18723037

IUPACN-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
SMILESCCC(Cc1ccccn1)(C(=O)NO)S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H26F3N3O5S/c1-2-21(20(29)27-30,15-17-5-3-4-12-26-17)34(31,32)28-13-10-19(11-14-28)33-18-8-6-16(7-9-18)22(23,24)25/h3-9,12,19,30H,2,10-11,13-15H2,1H3,(H,27,29)
InChIKeyONPPKORTYQDKKE-UHFFFAOYSA-N
MW501.53 g/mol
LogP3.17
Rot. Bonds8

About N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide

N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide (PubChem CID 18723037) has the molecular formula C22H26F3N3O5S and a molecular weight of 501.53 g/mol. Its IUPAC name is N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
PubChem CID18723037
Molecular FormulaC22H26F3N3O5S
Molecular Weight501.53 g/mol
Exact Mass501.15
IUPAC NameN-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
SMILESCCC(Cc1ccccn1)(C(=O)NO)S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H26F3N3O5S/c1-2-21(20(29)27-30,15-17-5-3-4-12-26-17)34(31,32)28-13-10-19(11-14-28)33-18-8-6-16(7-9-18)22(23,24)25/h3-9,12,19,30H,2,10-11,13-15H2,1H3,(H,27,29)
InChIKeyONPPKORTYQDKKE-UHFFFAOYSA-N
XLogP3.17
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.53
LogP ≤ 53.17
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

(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
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
[5-Methoxy-2-[2-oxo-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]phenyl]boronic acid
CID 137645671
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
4-[6-(2-fluoro-4-methoxyphenyl)-3-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 90684333
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-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(quinolin-8-ylmethoxy)phenyl]butanamide
CID 91663420
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

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide?
The IUPAC name of N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide (CID 18723037) is N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide is CCC(Cc1ccccn1)(C(=O)NO)S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide?
The InChIKey is ONPPKORTYQDKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O5S/c1-2-21(20(29)27-30,15-17-5-3-4-12-26-17)34(31,32)28-13-10-19(11-14-28)33-18-8-6-16(7-9-18)22(23,24)25/h3-9,12,19,30H,2,10-11,13-15H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide?
N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide has a molecular weight of 501.53 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide is sourced from PubChem (CID 18723037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).