1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide

C21H26N2O6S — CID 20712324

IUPAC1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
SMILESCCc1ccccc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1
InChIInChI=1S/C21H26N2O6S/c1-2-15-5-3-4-6-16(15)14-29-18-8-10-19(11-9-18)30(27,28)23-13-17(24)7-12-20(23)21(25)22-26/h3-6,8-11,17,20,24,26H,2,7,12-14H2,1H3,(H,22,25)
InChIKeyXXUCOZXCPFTGGY-UHFFFAOYSA-N
MW434.51 g/mol
LogP1.85
Rot. Bonds7

About 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide

1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide (PubChem CID 20712324) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
PubChem CID20712324
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
SMILESCCc1ccccc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1
InChIInChI=1S/C21H26N2O6S/c1-2-15-5-3-4-6-16(15)14-29-18-8-10-19(11-9-18)30(27,28)23-13-17(24)7-12-20(23)21(25)22-26/h3-6,8-11,17,20,24,26H,2,7,12-14H2,1H3,(H,22,25)
InChIKeyXXUCOZXCPFTGGY-UHFFFAOYSA-N
XLogP1.85
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 51.85
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

N,5-dihydroxy-1-[4-[(4-methoxyphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxamide
CID 20712390
1-[4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide
CID 20712345
N-hydroxy-4-methyl-1-[4-[(2-methylphenyl)methoxy]phenyl]sulfonylpiperazine-2-carboxamide
CID 54555315
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-5-hydroxypiperidine-2-carboxylic acid
CID 18333821
5-hydroxy-1-[4-[(3,4,5-trifluorophenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333750
4-hydroxy-1-[4-[(2-phenylphenyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
CID 18333696
methyl 3-[[4-[4-hydroxy-2-(hydroxycarbamoyl)piperidin-1-yl]sulfonylphenoxy]methyl]benzoate
CID 87888231
(2R,5R)-1-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 58619815
(3R)-N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 10761128
N-hydroxy-2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 4229
1-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxy-3,3-dimethylpiperidine-2-carboxamide
CID 22182512
(2R,4S)-1-(4-butoxyphenyl)sulfonyl-N-hydroxy-4-[[(2S)-2-hydroxy-3-methylbutanoyl]amino]pyrrolidine-2-carboxamide
CID 10837557

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The IUPAC name of 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide (CID 20712324) is 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide.
What is the SMILES notation for 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The canonical SMILES for 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide is CCc1ccccc1COc1ccc(S(=O)(=O)N2CC(O)CCC2C(=O)NO)cc1.
What is the InChIKey of 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
The InChIKey is XXUCOZXCPFTGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-2-15-5-3-4-6-16(15)14-29-18-8-10-19(11-9-18)30(27,28)23-13-17(24)7-12-20(23)21(25)22-26/h3-6,8-11,17,20,24,26H,2,7,12-14H2,1H3,(H,22,25).
What are the key properties of 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide?
1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethylphenyl)methoxy]phenyl]sulfonyl-N,5-dihydroxypiperidine-2-carboxamide is sourced from PubChem (CID 20712324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).