N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide

C20H24F6N2O7S — CID 20620304

IUPACN-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCC(C(=O)NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H24F6N2O7S/c1-17(19(21,22)23,20(24,25)26)15(29)27-9-2-10-35-13-3-5-14(6-4-13)36(32,33)18(16(30)28-31)7-11-34-12-8-18/h3-6,31H,2,7-12H2,1H3,(H,27,29)(H,28,30)
InChIKeyFYYQQKSUAXIUBZ-UHFFFAOYSA-N
MW550.47 g/mol
LogP2.53
Rot. Bonds9

About N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620304) has the molecular formula C20H24F6N2O7S and a molecular weight of 550.47 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620304
Molecular FormulaC20H24F6N2O7S
Molecular Weight550.47 g/mol
Exact Mass550.12
IUPAC NameN-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCC(C(=O)NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H24F6N2O7S/c1-17(19(21,22)23,20(24,25)26)15(29)27-9-2-10-35-13-3-5-14(6-4-13)36(32,33)18(16(30)28-31)7-11-34-12-8-18/h3-6,31H,2,7-12H2,1H3,(H,27,29)(H,28,30)
InChIKeyFYYQQKSUAXIUBZ-UHFFFAOYSA-N
XLogP2.53
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.47
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142185883
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
4-[4-[3-[(4-cyanobenzoyl)amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620754
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
4-amino-N-[3-[4-[4-(hydroxycarbamoyl)oxan-4-yl]sulfonylphenoxy]propyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 20780943
N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
N-hydroxy-4-[4-[3-[5-[4-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620619
4-[4-[4-butoxy-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623255
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620304) is N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide is CC(C(=O)NCCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is FYYQQKSUAXIUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F6N2O7S/c1-17(19(21,22)23,20(24,25)26)15(29)27-9-2-10-35-13-3-5-14(6-4-13)36(32,33)18(16(30)28-31)7-11-34-12-8-18/h3-6,31H,2,7-12H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 550.47 g/mol, XLogP of 2.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).