N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide

C24H30F3N3O6S — CID 10007588

IUPACN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
SMILESCOCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C24H30F3N3O6S/c1-35-13-14-36-19-8-11-23(12-9-19,22(31)30-32)37(33,34)20-6-4-17(5-7-20)21-16-28-18(15-29-21)3-2-10-24(25,26)27/h4-7,15-16,19,32H,2-3,8-14H2,1H3,(H,30,31)
InChIKeyLUMVBIVFABHPCV-UHFFFAOYSA-N
MW545.58 g/mol
LogP3.65
Rot. Bonds11

About N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide

N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide (PubChem CID 10007588) has the molecular formula C24H30F3N3O6S and a molecular weight of 545.58 g/mol. Its IUPAC name is N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
PubChem CID10007588
Molecular FormulaC24H30F3N3O6S
Molecular Weight545.58 g/mol
Exact Mass545.18
IUPAC NameN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
SMILESCOCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C24H30F3N3O6S/c1-35-13-14-36-19-8-11-23(12-9-19,22(31)30-32)37(33,34)20-6-4-17(5-7-20)21-16-28-18(15-29-21)3-2-10-24(25,26)27/h4-7,15-16,19,32H,2-3,8-14H2,1H3,(H,30,31)
InChIKeyLUMVBIVFABHPCV-UHFFFAOYSA-N
XLogP3.65
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 9916298
N-hydroxy-4-[4-[5-[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10007916
N-hydroxy-4-methoxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10075880
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10256856
N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10368990
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390098
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CID 10411874
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10412528
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10414809
N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10483043
4-({4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl}sulfonyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide hydrochloride
CID 11540461
4-[4-[5-(3,3-difluorobutyl)pyrazin-2-yl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 11540462

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide (CID 10007588) is N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide is COCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3cnc(CCCC(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide?
The InChIKey is LUMVBIVFABHPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N3O6S/c1-35-13-14-36-19-8-11-23(12-9-19,22(31)30-32)37(33,34)20-6-4-17(5-7-20)21-16-28-18(15-29-21)3-2-10-24(25,26)27/h4-7,15-16,19,32H,2-3,8-14H2,1H3,(H,30,31).
What are the key properties of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide?
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide has a molecular weight of 545.58 g/mol, XLogP of 3.65, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 10007588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).