N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide

C18H24F3N3O5S — CID 58378610

IUPACN,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
SMILESCCN(CC)C(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3N3O5S/c1-3-23(4-2)17(25)13-28-22-14-9-11-24(12-10-14)30(26,27)16-7-5-15(6-8-16)29-18(19,20)21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLQHWARVZGMQBNU-UHFFFAOYSA-N
MW451.47 g/mol
LogP2.61
Rot. Bonds8

About N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide

N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide (PubChem CID 58378610) has the molecular formula C18H24F3N3O5S and a molecular weight of 451.47 g/mol. Its IUPAC name is N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
PubChem CID58378610
Molecular FormulaC18H24F3N3O5S
Molecular Weight451.47 g/mol
Exact Mass451.14
IUPAC NameN,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
SMILESCCN(CC)C(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C18H24F3N3O5S/c1-3-23(4-2)17(25)13-28-22-14-9-11-24(12-10-14)30(26,27)16-7-5-15(6-8-16)29-18(19,20)21/h5-8H,3-4,9-13H2,1-2H3
InChIKeyLQHWARVZGMQBNU-UHFFFAOYSA-N
XLogP2.61
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxymethyl]piperidine-1-carboxylate
CID 87662575
N-[(2-cyclopropyl-4-fluorophenyl)methoxy]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-imine
CID 87661063
1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]oxypentan-2-one
CID 58235378
ethyl (Z)-3-methoxy-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoate
CID 140660182
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
N',N'-dimethyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetohydrazide
CID 25126578
N-(2-methylbutan-2-yl)-2-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 26626370
3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoic acid
CID 66681921
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 26203941
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 27508693
(E)-1-cyclopropyl-3-methyl-4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]but-3-en-2-one
CID 58065337

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The IUPAC name of N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide (CID 58378610) is N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The canonical SMILES for N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide is CCN(CC)C(=O)CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
The InChIKey is LQHWARVZGMQBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O5S/c1-3-23(4-2)17(25)13-28-22-14-9-11-24(12-10-14)30(26,27)16-7-5-15(6-8-16)29-18(19,20)21/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide?
N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide has a molecular weight of 451.47 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide is sourced from PubChem (CID 58378610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).