2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide

C10H7F3N2OS — CID 168524340

IUPAC2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)17-8-3-1-2-7(6-8)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)
InChIKeyAWNIXSPJCDOAEW-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.15
Rot. Bonds3

About 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide

2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide (PubChem CID 168524340) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
PubChem CID168524340
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(SC(F)(F)F)c1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)17-8-3-1-2-7(6-8)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16)
InChIKeyAWNIXSPJCDOAEW-UHFFFAOYSA-N
XLogP3.15
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-(1,1-difluoroethyl)phenyl]acetamide
CID 126785808
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
potassium;3-[(2-cyanoacetyl)amino]benzenesulfonic acid;hydride
CID 173377668
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
2-(2,4-dinitrophenyl)sulfinyl-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide
CID 21206312
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-cyanoacetamide
CID 64854761
1-(2,2-dimethoxyethyl)-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3471027
N-(3-butan-2-yloxyphenyl)-2-cyanoacetamide
CID 62328244
1-[(4-methylsulfanylphenyl)methyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CID 3451199

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide (CID 168524340) is 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide is N#CCC(=O)Nc1cccc(SC(F)(F)F)c1.
What is the InChIKey of 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
The InChIKey is AWNIXSPJCDOAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)17-8-3-1-2-7(6-8)15-9(16)4-5-14/h1-3,6H,4H2,(H,15,16).
What are the key properties of 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide?
2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide has a molecular weight of 260.24 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(trifluoromethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 168524340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).