N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide

C21H22F3N3O5S — CID 91295415

IUPACN-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
SMILESCOc1ccc(NC(=O)CONC2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H22F3N3O5S/c1-31-18-7-5-16(6-8-18)25-20(28)14-32-26-17-9-11-27(12-10-17)33(29,30)19-4-2-3-15(13-19)21(22,23)24/h2-9,13,26H,10-12,14H2,1H3,(H,25,28)
InChIKeyTVAIOHNQOFEKOX-UHFFFAOYSA-N
MW485.48 g/mol
LogP3.15
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide

N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide (PubChem CID 91295415) has the molecular formula C21H22F3N3O5S and a molecular weight of 485.48 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
PubChem CID91295415
Molecular FormulaC21H22F3N3O5S
Molecular Weight485.48 g/mol
Exact Mass485.12
IUPAC NameN-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
SMILESCOc1ccc(NC(=O)CONC2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C21H22F3N3O5S/c1-31-18-7-5-16(6-8-18)25-20(28)14-32-26-17-9-11-27(12-10-17)33(29,30)19-4-2-3-15(13-19)21(22,23)24/h2-9,13,26H,10-12,14H2,1H3,(H,25,28)
InChIKeyTVAIOHNQOFEKOX-UHFFFAOYSA-N
XLogP3.15
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.48
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 91334404
N-(4-fluorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 123414938
N-(4-methoxyphenyl)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]acetamide
CID 17424565
N-(4-fluorophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
CID 90980833
2-[4-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]anilino]ethanol
CID 91380108
N-(4-chlorophenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25125238
2-(4-methoxyphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1488181
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758065
N-(2-methoxyethyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ylidene]amino]oxyacetamide
CID 25126240
N,N-dimethyl-5-[[4-[[3-(trifluoromethyl)phenyl]methoxyamino]-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]pyridin-2-amine
CID 91209095
4-(4-methoxyphenyl)sulfonyl-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 90592055
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027499

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide (CID 91295415) is N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide is COc1ccc(NC(=O)CONC2=CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The InChIKey is TVAIOHNQOFEKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O5S/c1-31-18-7-5-16(6-8-18)25-20(28)14-32-26-17-9-11-27(12-10-17)33(29,30)19-4-2-3-15(13-19)21(22,23)24/h2-9,13,26H,10-12,14H2,1H3,(H,25,28).
What are the key properties of N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide has a molecular weight of 485.48 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[[1-[3-(trifluoromethyl)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide is sourced from PubChem (CID 91295415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).