N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide

C22H18F4N2O5S — CID 90128261

IUPACN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H18F4N2O5S/c1-21(2,34(30,31)18-5-3-4-17(12-18)33-22(24,25)26)20(29)28-15-8-11-19(27-13-15)32-16-9-6-14(23)7-10-16/h3-13H,1-2H3,(H,28,29)
InChIKeyACWIIIMPLGJSBK-UHFFFAOYSA-N
MW498.45 g/mol
LogP5.10
Rot. Bonds7

About N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide

N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide (PubChem CID 90128261) has the molecular formula C22H18F4N2O5S and a molecular weight of 498.45 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
PubChem CID90128261
Molecular FormulaC22H18F4N2O5S
Molecular Weight498.45 g/mol
Exact Mass498.09
IUPAC NameN-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C22H18F4N2O5S/c1-21(2,34(30,31)18-5-3-4-17(12-18)33-22(24,25)26)20(29)28-15-8-11-19(27-13-15)32-16-9-6-14(23)7-10-16/h3-13H,1-2H3,(H,28,29)
InChIKeyACWIIIMPLGJSBK-UHFFFAOYSA-N
XLogP5.10
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide
CID 59662692
1-[6-(4-tert-butylphenoxy)-3-pyridinyl]-3-(4-fluorophenyl)urea
CID 2814280
3-(difluoromethoxy)-N-[6-(4-fluorophenoxy)-3-pyridinyl]benzamide
CID 55713821
N-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 24662739
2-amino-2-methyl-N-(6-phenoxy-3-pyridinyl)pentanamide
CID 119849182
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
2,2-dimethyl-N-[3-[[3-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]propanamide
CID 24662948
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
2-methyl-2-[[3-(trifluoromethoxy)phenyl]sulfonylamino]propanoic acid
CID 61263224
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide (CID 90128261) is N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide is CC(C)(C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
The InChIKey is ACWIIIMPLGJSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F4N2O5S/c1-21(2,34(30,31)18-5-3-4-17(12-18)33-22(24,25)26)20(29)28-15-8-11-19(27-13-15)32-16-9-6-14(23)7-10-16/h3-13H,1-2H3,(H,28,29).
What are the key properties of N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide?
N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide has a molecular weight of 498.45 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-3-pyridinyl]-2-methyl-2-[3-(trifluoromethoxy)phenyl]sulfonylpropanamide is sourced from PubChem (CID 90128261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).