1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide

C22H27FN2O6S — CID 22182512

IUPAC1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
SMILESCc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2C(=O)NO)cc1
InChIInChI=1S/C22H27FN2O6S/c1-14-10-16(23)5-4-15(14)13-31-18-6-8-19(9-7-18)32(29,30)25-12-17(26)11-22(2,3)20(25)21(27)24-28/h4-10,17,20,26,28H,11-13H2,1-3H3,(H,24,27)
InChIKeyLOMOBWUKCBVLNJ-UHFFFAOYSA-N
MW466.53 g/mol
LogP2.37
Rot. Bonds6

About 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide

1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 22182512) has the molecular formula C22H27FN2O6S and a molecular weight of 466.53 g/mol. Its IUPAC name is 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
PubChem CID22182512
Molecular FormulaC22H27FN2O6S
Molecular Weight466.53 g/mol
Exact Mass466.16
IUPAC Name1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
SMILESCc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2C(=O)NO)cc1
InChIInChI=1S/C22H27FN2O6S/c1-14-10-16(23)5-4-15(14)13-31-18-6-8-19(9-7-18)32(29,30)25-12-17(26)11-22(2,3)20(25)21(27)24-28/h4-10,17,20,26,28H,11-13H2,1-3H3,(H,24,27)
InChIKeyLOMOBWUKCBVLNJ-UHFFFAOYSA-N
XLogP2.37
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 52.37
H-Bond Donors ≤ 53
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,5R)-1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 58619815
(2R,3S)-1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 10182521
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333821
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345
(3R)-1-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxy-3-methylpiperidine-2-carboxamide
CID 11655819
3,3-difluoro-1-[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333762
(3R,6S)-N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 57264071
N-hydroxy-2,2,6-trimethyl-4-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylmorpholine-3-carboxamide
CID 76501215
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712324
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
4-[4-[(4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-2,6,6-trimethylmorpholine-3-carboxamide
CID 85065581
2-cyclopentyl-5-[4-[(2,4-difluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-oxo-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-4-carboxamide
CID 139996629

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide (CID 22182512) is 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide is Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CC(O)CC(C)(C)C2C(=O)NO)cc1.
What is the InChIKey of 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is LOMOBWUKCBVLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O6S/c1-14-10-16(23)5-4-15(14)13-31-18-6-8-19(9-7-18)32(29,30)25-12-17(26)11-22(2,3)20(25)21(27)24-28/h4-10,17,20,26,28H,11-13H2,1-3H3,(H,24,27).
What are the key properties of 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide?
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 466.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 22182512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).