2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

C24H23F3N2O4S — CID 71285659

IUPAC2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCc1nc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H23F3N2O4S/c1-3-20-18(19-7-5-6-8-21(19)33-24(25,26)27)13-14-22(28-20)29-23(30)15-16-9-11-17(12-10-16)34(31,32)4-2/h5-14H,3-4,15H2,1-2H3,(H,28,29,30)
InChIKeyQVWFPYLEELCEPF-UHFFFAOYSA-N
MW492.52 g/mol
LogP5.18
Rot. Bonds8

About 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (PubChem CID 71285659) has the molecular formula C24H23F3N2O4S and a molecular weight of 492.52 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
PubChem CID71285659
Molecular FormulaC24H23F3N2O4S
Molecular Weight492.52 g/mol
Exact Mass492.13
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide
SMILESCCc1nc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)ccc1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C24H23F3N2O4S/c1-3-20-18(19-7-5-6-8-21(19)33-24(25,26)27)13-14-22(28-20)29-23(30)15-16-9-11-17(12-10-16)34(31,32)4-2/h5-14H,3-4,15H2,1-2H3,(H,28,29,30)
InChIKeyQVWFPYLEELCEPF-UHFFFAOYSA-N
XLogP5.18
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide
CID 71285842
2-(4-(ethylsulfonyl)phenyl)-N-(6-(6-methoxypyridin-2-yl)-4,6-dimethyl-5-oxo-
CID 122704113
N-(4,6-dimethyl-2-pyridinyl)-2-methoxy-5-methylsulfonylbenzamide
CID 13440636
N-(4,6-dimethyl-2-pyridinyl)-5-ethylsulfonyl-2-methoxybenzamide
CID 13440637
2-[4-(2-ethoxyphenyl)sulfanyl-3-(trifluoromethyl)phenyl]-N-(6-methyl-2-pyridinyl)prop-2-enamide
CID 22498548
2-(4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855755
2-(3-fluoro-4-methoxyphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24856004
N-[6-[4-[(2S)-2-ethylpyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]-1-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58564525
N-[6-[4-(methylsulfamoyl)phenyl]pyridin-2-yl]-1-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxamide
CID 59165937
4-[6-[[1-[4-(Trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]-2-pyridinyl]benzenesulfinate
CID 59165941
1-(3-fluoro-4-methoxyphenyl)-N-[6-[4-[(2S)-2-methylpyrrolidin-1-yl]sulfonylphenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 68204900
2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]pyridazin-3-yl]acetamide
CID 71283841

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide (CID 71285659) is 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is CCc1nc(NC(=O)Cc2ccc(S(=O)(=O)CC)cc2)ccc1-c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
The InChIKey is QVWFPYLEELCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4S/c1-3-20-18(19-7-5-6-8-21(19)33-24(25,26)27)13-14-22(28-20)29-23(30)15-16-9-11-17(12-10-16)34(31,32)4-2/h5-14H,3-4,15H2,1-2H3,(H,28,29,30).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide has a molecular weight of 492.52 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-N-[6-ethyl-5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 71285659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).