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

C20H26F3N3O5S — CID 90786230

IUPACN-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
SMILESO=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H26F3N3O5S/c21-20(22,23)31-17-6-8-18(9-7-17)32(28,29)26-12-10-16(11-13-26)25-30-14-19(27)24-15-4-2-1-3-5-15/h6-10,15,25H,1-5,11-14H2,(H,24,27)
InChIKeyIWWJTNOJIABMJR-UHFFFAOYSA-N
MW477.51 g/mol
LogP2.83
Rot. Bonds8

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

N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide (PubChem CID 90786230) has the molecular formula C20H26F3N3O5S and a molecular weight of 477.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
PubChem CID90786230
Molecular FormulaC20H26F3N3O5S
Molecular Weight477.51 g/mol
Exact Mass477.15
IUPAC NameN-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide
SMILESO=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCCCC1
InChIInChI=1S/C20H26F3N3O5S/c21-20(22,23)31-17-6-8-18(9-7-17)32(28,29)26-12-10-16(11-13-26)25-30-14-19(27)24-15-4-2-1-3-5-15/h6-10,15,25H,1-5,11-14H2,(H,24,27)
InChIKeyIWWJTNOJIABMJR-UHFFFAOYSA-N
XLogP2.83
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.51
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The IUPAC name of N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide (CID 90786230) is N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide.
What is the SMILES notation for N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The canonical SMILES for N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide is O=C(CONC1=CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
The InChIKey is IWWJTNOJIABMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N3O5S/c21-20(22,23)31-17-6-8-18(9-7-17)32(28,29)26-12-10-16(11-13-26)25-30-14-19(27)24-15-4-2-1-3-5-15/h6-10,15,25H,1-5,11-14H2,(H,24,27).
What are the key properties of N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide?
N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide has a molecular weight of 477.51 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[1-[4-(trifluoromethoxy)phenyl]sulfonyl-3,6-dihydro-2H-pyridin-4-yl]amino]oxyacetamide is sourced from PubChem (CID 90786230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).