N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H16F3NOS — CID 9034330

IUPACN-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NOS/c1-2-12-6-3-4-9-15(12)21-16(22)11-23-14-8-5-7-13(10-14)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeySIKFBTTWDFBIQD-UHFFFAOYSA-N
MW339.38 g/mol
LogP5.00
Rot. Bonds5

About N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 9034330) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID9034330
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC NameN-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H16F3NOS/c1-2-12-6-3-4-9-15(12)21-16(22)11-23-14-8-5-7-13(10-14)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22)
InChIKeySIKFBTTWDFBIQD-UHFFFAOYSA-N
XLogP5.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7965138
N-(2-cyanophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2467407
N-(4-acetamidophenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484943
2-[3-(trifluoromethyl)phenyl]sulfanylacetohydrazide
CID 60651104
N-(2-ethylphenyl)-2-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]sulfanyl]acetamide
CID 1301484
N-[(1R)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2575823
2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 9303896
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
N-(propan-2-ylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591950
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 4846392
N-(2-methyl-6-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 7484907
N-[3-(diethylsulfamoyl)phenyl]-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 17432681

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 9034330) is N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CCc1ccccc1NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is SIKFBTTWDFBIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-2-12-6-3-4-9-15(12)21-16(22)11-23-14-8-5-7-13(10-14)17(18,19)20/h3-10H,2,11H2,1H3,(H,21,22).
What are the key properties of N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 339.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 9034330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).