2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide

C16H10F4N2OS — CID 146088281

IUPAC2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(SC(C(N)=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2OS/c17-11-4-1-9(2-5-11)14(15(22)23)24-12-6-3-10(8-21)13(7-12)16(18,19)20/h1-7,14H,(H2,22,23)
InChIKeyYSVDZYPLTYRHCR-UHFFFAOYSA-N
MW354.33 g/mol
LogP4.03
Rot. Bonds4

About 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide

2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide (PubChem CID 146088281) has the molecular formula C16H10F4N2OS and a molecular weight of 354.33 g/mol. Its IUPAC name is 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide
PubChem CID146088281
Molecular FormulaC16H10F4N2OS
Molecular Weight354.33 g/mol
Exact Mass354.04
IUPAC Name2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide
SMILESN#Cc1ccc(SC(C(N)=O)c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C16H10F4N2OS/c17-11-4-1-9(2-5-11)14(15(22)23)24-12-6-3-10(8-21)13(7-12)16(18,19)20/h1-7,14H,(H2,22,23)
InChIKeyYSVDZYPLTYRHCR-UHFFFAOYSA-N
XLogP4.03
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanamide
CID 123854810
4-cyano-3-(trifluoromethyl)benzamide
CID 22284887
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)sulfanyl-2-methylpropanamide
CID 23134401
[4-cyano-3-(trifluoromethyl)phenyl] thiohypochlorite
CID 154965245
2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-5-nitropyridine-3-carboxamide
CID 133463753
4-cyano-3-(trifluoromethyl)benzoic acid
CID 91882481
(2S)-2-(4-bromophenyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 95333171
4-phenylsulfanyl-2-(trifluoromethyl)benzonitrile
CID 43320745
4-[(4-methyl-1,2,4-triazol-3-yl)methylsulfanyl]-2-(trifluoromethyl)benzonitrile
CID 84599296
ethane;4-propylsulfanyl-2-(trifluoromethyl)benzonitrile
CID 156868093
4-[[(2R)-2-amino-3-(4-fluorophenyl)sulfonyl-2-methyl-3-oxopropyl]amino]-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 173108250
4-(2-ethylsulfonylethylsulfanyl)-2-(trifluoromethyl)benzonitrile
CID 75450781

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide (CID 146088281) is 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide is N#Cc1ccc(SC(C(N)=O)c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide?
The InChIKey is YSVDZYPLTYRHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2OS/c17-11-4-1-9(2-5-11)14(15(22)23)24-12-6-3-10(8-21)13(7-12)16(18,19)20/h1-7,14H,(H2,22,23).
What are the key properties of 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide?
2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide has a molecular weight of 354.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyano-3-(trifluoromethyl)phenyl]sulfanyl-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 146088281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).