2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

C17H14F5NOS — CID 55909370

IUPAC2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(SCC(=O)Nc1ccccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C17H14F5NOS/c1-10(16-12(18)6-4-7-13(16)19)25-9-15(24)23-14-8-3-2-5-11(14)17(20,21)22/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyREUCDOPZGWRSDM-UHFFFAOYSA-N
MW375.36 g/mol
LogP5.42
Rot. Bonds5

About 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 55909370) has the molecular formula C17H14F5NOS and a molecular weight of 375.36 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID55909370
Molecular FormulaC17H14F5NOS
Molecular Weight375.36 g/mol
Exact Mass375.07
IUPAC Name2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCC(SCC(=O)Nc1ccccc1C(F)(F)F)c1c(F)cccc1F
InChIInChI=1S/C17H14F5NOS/c1-10(16-12(18)6-4-7-13(16)19)25-9-15(24)23-14-8-3-2-5-11(14)17(20,21)22/h2-8,10H,9H2,1H3,(H,23,24)
InChIKeyREUCDOPZGWRSDM-UHFFFAOYSA-N
XLogP5.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.36
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
2-[1-(2-fluorophenyl)ethylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18086069
(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7729755
2-(3-methylbutylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005843
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[1-(4-fluorophenyl)ethylsulfanyl]acetamide
CID 55583835
(2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1179845
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
2-(2-chlorophenyl)sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7761217
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
2-(1-aminopropan-2-ylsulfanyl)-N-(2-fluorophenyl)acetamide
CID 66242283
2-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-propan-2-ylamino]acetamide
CID 40760123

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 55909370) is 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is CC(SCC(=O)Nc1ccccc1C(F)(F)F)c1c(F)cccc1F.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is REUCDOPZGWRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5NOS/c1-10(16-12(18)6-4-7-13(16)19)25-9-15(24)23-14-8-3-2-5-11(14)17(20,21)22/h2-8,10H,9H2,1H3,(H,23,24).
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 375.36 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55909370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).