N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide

C17H16F3NO2S — CID 55675133

IUPACN-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)24-12-16(22)21-14-8-4-5-9-15(14)23-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)
InChIKeyZFMIKYHBNQQSKE-UHFFFAOYSA-N
MW355.38 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide

N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 55675133) has the molecular formula C17H16F3NO2S and a molecular weight of 355.38 g/mol. Its IUPAC name is N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID55675133
Molecular FormulaC17H16F3NO2S
Molecular Weight355.38 g/mol
Exact Mass355.09
IUPAC NameN-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)Nc1ccccc1OCCc1ccccc1
InChIInChI=1S/C17H16F3NO2S/c18-17(19,20)24-12-16(22)21-14-8-4-5-9-15(14)23-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22)
InChIKeyZFMIKYHBNQQSKE-UHFFFAOYSA-N
XLogP4.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-imidazol-1-ylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 47789441
1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 47033729
N-[2-(2-phenylethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55674996
2-(2-formylphenoxy)-N-[2-(2-phenylethoxy)phenyl]acetamide
CID 60513932
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
2-cyano-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 168520539
2-[4-(2-phenylethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54823768
N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 849126
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
1-(2-hydroxyethyl)-1-methyl-3-[2-(2-phenylethoxy)phenyl]urea
CID 111431297
2-(3-methoxypropylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54829343

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide (CID 55675133) is N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)Nc1ccccc1OCCc1ccccc1.
What is the InChIKey of N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is ZFMIKYHBNQQSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2S/c18-17(19,20)24-12-16(22)21-14-8-4-5-9-15(14)23-11-10-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,21,22).
What are the key properties of N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 355.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethoxy)phenyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 55675133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).