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

C25H31F3N2O6S — CID 10256856

IUPACN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide
SMILESCOCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C25H31F3N2O6S/c1-35-15-16-36-20-10-13-24(14-11-20,23(31)30-32)37(33,34)21-7-5-19(6-8-21)22-9-4-18(17-29-22)3-2-12-25(26,27)28/h4-9,17,20,32H,2-3,10-16H2,1H3,(H,30,31)
InChIKeyDFOOAIUHQDTAFM-UHFFFAOYSA-N
MW544.59 g/mol
LogP4.26
Rot. Bonds11

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

N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide (PubChem CID 10256856) has the molecular formula C25H31F3N2O6S and a molecular weight of 544.59 g/mol. Its IUPAC name is N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide
PubChem CID10256856
Molecular FormulaC25H31F3N2O6S
Molecular Weight544.59 g/mol
Exact Mass544.19
IUPAC NameN-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide
SMILESCOCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1
InChIInChI=1S/C25H31F3N2O6S/c1-35-15-16-36-20-10-13-24(14-11-20,23(31)30-32)37(33,34)21-7-5-19(6-8-21)22-9-4-18(17-29-22)3-2-12-25(26,27)28/h4-9,17,20,32H,2-3,10-16H2,1H3,(H,30,31)
InChIKeyDFOOAIUHQDTAFM-UHFFFAOYSA-N
XLogP4.26
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.59
LogP ≤ 54.26
H-Bond Donors ≤ 52
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'}

Analyze N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
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-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)pyrazin-2-yl]phenyl]sulfonylcyclohexane-1-carboxamide
CID 10007588
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
1-ethyl-N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10098643
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
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide
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-(4,4,4-trifluorobutyl)pyridin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide
CID 10413606

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide?
The IUPAC name of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide (CID 10256856) is N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide.
What is the SMILES notation for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide?
The canonical SMILES for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide is COCCOC1CCC(C(=O)NO)(S(=O)(=O)c2ccc(-c3ccc(CCCC(F)(F)F)cn3)cc2)CC1.
What is the InChIKey of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide?
The InChIKey is DFOOAIUHQDTAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O6S/c1-35-15-16-36-20-10-13-24(14-11-20,23(31)30-32)37(33,34)21-7-5-19(6-8-21)22-9-4-18(17-29-22)3-2-12-25(26,27)28/h4-9,17,20,32H,2-3,10-16H2,1H3,(H,30,31).
What are the key properties of N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide?
N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide has a molecular weight of 544.59 g/mol, XLogP of 4.26, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(2-methoxyethoxy)-1-[4-[5-(4,4,4-trifluorobutyl)-2-pyridinyl]phenyl]sulfonylcyclohexane-1-carboxamide is sourced from PubChem (CID 10256856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).