2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide

C22H19F3N2OS — CID 144539996

IUPAC2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2OS/c1-2-29-18-8-5-15(6-9-18)12-21(28)27-17-7-10-19(16-4-3-11-26-14-16)20(13-17)22(23,24)25/h3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeySHIFBYMCSAIAOI-UHFFFAOYSA-N
MW416.47 g/mol
LogP6.06
Rot. Bonds6

About 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide

2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 144539996) has the molecular formula C22H19F3N2OS and a molecular weight of 416.47 g/mol. Its IUPAC name is 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID144539996
Molecular FormulaC22H19F3N2OS
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC Name2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCSc1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H19F3N2OS/c1-2-29-18-8-5-15(6-9-18)12-21(28)27-17-7-10-19(16-4-3-11-26-14-16)20(13-17)22(23,24)25/h3-11,13-14H,2,12H2,1H3,(H,27,28)
InChIKeySHIFBYMCSAIAOI-UHFFFAOYSA-N
XLogP6.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfanylphenyl)-N-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 18586867
2-(4-ethylsulfanylphenyl)-N-[4-(3-fluorophenyl)-3-phenoxyphenyl]acetamide
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2-(4-ethylsulfanylphenyl)-N-[4-(6-fluoro-3-pyridinyl)-3-[3-(trifluoromethoxy)phenoxy]phenyl]acetamide
CID 123638254
N-(4-ethyl-3-fluorophenyl)-2-(4-ethylsulfanylphenyl)acetamide
CID 123212321
2-(4-ethylsulfanylphenyl)-N-[3-(3-fluorophenoxy)-4-(2-fluoro-4-pyridinyl)phenyl]acetamide
CID 123900194
N-[3,5-dichloro-4-[1-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclopropyl]phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 134180127
2-(4-ethylsulfanylphenyl)-N-[3-fluoro-4-(2-methyl-1-oxopropan-2-yl)phenyl]acetamide
CID 145232045
N-[3-(3-chlorophenoxy)-4-(3,4-difluorophenyl)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123750729
N-[4-(3-chlorophenyl)-3-(2-cyanophenoxy)phenyl]-2-(4-ethylsulfanylphenyl)acetamide
CID 123794161
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
N-[3-(3-fluorophenoxy)-4-(3-fluorophenyl)phenyl]-2-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 123702204
1-methyl-4-oxo-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57400586

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide (CID 144539996) is 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide is CCSc1ccc(CC(=O)Nc2ccc(-c3cccnc3)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SHIFBYMCSAIAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2OS/c1-2-29-18-8-5-15(6-9-18)12-21(28)27-17-7-10-19(16-4-3-11-26-14-16)20(13-17)22(23,24)25/h3-11,13-14H,2,12H2,1H3,(H,27,28).
What are the key properties of 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide?
2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.47 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfanylphenyl)-N-[4-pyridin-3-yl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 144539996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).