2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide

C22H19F3N2O4S — CID 71285842

IUPAC2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)nc2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-2-32(29,30)17-10-7-15(8-11-17)13-21(28)27-16-9-12-19(26-14-16)18-5-3-4-6-20(18)31-22(23,24)25/h3-12,14H,2,13H2,1H3,(H,27,28)
InChIKeyVCPYVYMWDIXKGL-UHFFFAOYSA-N
MW464.47 g/mol
LogP4.62
Rot. Bonds7

About 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide

2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide (PubChem CID 71285842) has the molecular formula C22H19F3N2O4S and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide
PubChem CID71285842
Molecular FormulaC22H19F3N2O4S
Molecular Weight464.47 g/mol
Exact Mass464.10
IUPAC Name2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)nc2)cc1
InChIInChI=1S/C22H19F3N2O4S/c1-2-32(29,30)17-10-7-15(8-11-17)13-21(28)27-16-9-12-19(26-14-16)18-5-3-4-6-20(18)31-22(23,24)25/h3-12,14H,2,13H2,1H3,(H,27,28)
InChIKeyVCPYVYMWDIXKGL-UHFFFAOYSA-N
XLogP4.62
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-pyridin-3-yl-N-[4-[3-(trifluoromethoxy)phenyl]sulfonylphenyl]cyclopropane-1-carboxamide
CID 76314702
12-(Benzenesulfonyl)-3-[(2-methoxyphenyl)methyl]-3,14-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11-tetraen-13-one
CID 137635217
3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-4-carboxamide
CID 56593323
3-[(2-ethoxybenzoyl)amino]-N-[3-(trifluoromethylsulfonyl)phenyl]pyridine-2-carboxamide
CID 56593347
3-Methanesulfonyl-N-methyl-N-[4-(2-trifluoromethoxy-phenyl)-pyridin-3-yl]-5-trifluoromethyl-benzamide
CID 60196596
N-[4-(4-Fluoro-2-methoxy-phenyl)-pyridin-3-yl]-N-methyl-3-(1-sulfamoyl-azetidine-3-sulfonyl)-5-trifluoromethyl-benzamide
CID 60196697
N-[4-(4-Fluoro-2-methoxy-phenyl)-pyridin-3-yl]-3-methanesulfonyl-N-(2-methanesulfonyl-ethyl)-5-trifluoromethyl-benzamide
CID 60196698
N-[4-(2-Fluoro-6-methoxy-phenyl)-pyridin-3-yl]-3-methanesulfonyl-N-methyl-5-trifluoromethyl-benzamide
CID 60196901
3-(2-Amino-ethanesulfonyl)-N-[4-(4-fluoro-2-methoxy-phenyl)-pyridin-3-yl]-N-methyl-5-trifluoromethyl-benzamide
CID 60196903
N-[4-(4,5-Difluoro-2-methoxy-phenyl)-pyridin-3-yl]-3-methanesulfonyl-N-(2,2,2-trifluoro-ethyl)-5-trifluoromethyl-benzamide
CID 60197917
N-[4-(4-fluoro-2-methoxyphenyl)pyridin-3-yl]-N-methyl-3-{[2-(sulfamoylamino)ethyl]-sulfanyl}-5-(trifluoromethyl)benzamide
CID 70663176
N-[4-(4-Fluoro-2-methoxy-phenyl)-6-methyl-pyridin-3-yl]-3-methanesulfonyl-N-methyl-5-trifluoromethyl-benzamide
CID 70663183

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide (CID 71285842) is 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3ccccc3OC(F)(F)F)nc2)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide?
The InChIKey is VCPYVYMWDIXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O4S/c1-2-32(29,30)17-10-7-15(8-11-17)13-21(28)27-16-9-12-19(26-14-16)18-5-3-4-6-20(18)31-22(23,24)25/h3-12,14H,2,13H2,1H3,(H,27,28).
What are the key properties of 2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide?
2-(4-ethylsulfonylphenyl)-N-[6-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide has a molecular weight of 464.47 g/mol, XLogP of 4.62, 7 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-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 71285842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).