2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C17H17F3N2O2S — CID 55825302

IUPAC2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-12(13-5-7-15(8-6-13)24-17(18,19)20)22-16(23)11-25-10-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGPOUDOKIODZYET-UHFFFAOYSA-N
MW370.40 g/mol
LogP4.09
Rot. Bonds7

About 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 55825302) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID55825302
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESCC(NC(=O)CSCc1ccccn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3N2O2S/c1-12(13-5-7-15(8-6-13)24-17(18,19)20)22-16(23)11-25-10-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyGPOUDOKIODZYET-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611638
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
N-[4-(4-methoxyphenyl)butan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 51095218
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-(pyridin-2-ylmethylsulfanyl)propanamide
CID 94817882
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-(2-hydroxypropyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 110901648
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 95287151
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
N-(2-hydroxy-2,3-dimethylbutyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 111484028
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 55825302) is 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is CC(NC(=O)CSCc1ccccn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is GPOUDOKIODZYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-12(13-5-7-15(8-6-13)24-17(18,19)20)22-16(23)11-25-10-14-4-2-3-9-21-14/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 370.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 55825302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).