2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

C17H16F3NO2S — CID 989309

IUPAC2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2S/c1-23-15-8-2-12(3-9-15)10-24-11-16(22)21-14-6-4-13(5-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeySFVJXNXREQULTK-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.59
Rot. Bonds6

About 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 989309) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID989309
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC Name2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H16F3NO2S/c1-23-15-8-2-12(3-9-15)10-24-11-16(22)21-14-6-4-13(5-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22)
InChIKeySFVJXNXREQULTK-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 31089360
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[(4-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 53279533
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[(3-bromophenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 47003826
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
methyl 3-oxo-3-[4-[4-(trifluoromethyl)phenoxy]anilino]propanoate
CID 169084967
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N,N-dimethyl-4-[[2-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]acetyl]amino]benzamide
CID 32523241
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18569191
2-[(4-methoxyphenyl)methylsulfanyl]-N-propan-2-ylacetamide
CID 53279539
2-(4-methoxyphenyl)ethyl 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 7429524

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 989309) is 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(CSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SFVJXNXREQULTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c1-23-15-8-2-12(3-9-15)10-24-11-16(22)21-14-6-4-13(5-7-14)17(18,19)20/h2-9H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 355.38 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 989309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).