2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H18F3NO3S — CID 31089360

IUPAC2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO3S/c1-24-15-6-8-16(9-7-15)25-10-11-26-12-17(23)22-14-4-2-13(3-5-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyIEMBBPHXRPEWTD-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.46
Rot. Bonds8

About 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 31089360) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID31089360
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(OCCSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO3S/c1-24-15-6-8-16(9-7-15)25-10-11-26-12-17(23)22-14-4-2-13(3-5-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23)
InChIKeyIEMBBPHXRPEWTD-UHFFFAOYSA-N
XLogP4.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)methylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 989309
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-(4-nitrophenyl)acetamide
CID 49313212
2-[2-(4-methylphenoxy)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731594
N-(2,6-dichlorophenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089378
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
methyl 4-[[2-[2-(4-methylphenoxy)ethylsulfanyl]acetyl]amino]benzoate
CID 31543376
N-(2,6-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]acetamide
CID 31089301
2-[3-(4-methylphenoxy)propylsulfanyl]-N-(4-methylphenyl)acetamide
CID 7731597
N-(4-fluorophenyl)-2-[2-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-oxoethyl]sulfanylacetamide
CID 55364369
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18569191
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
tert-butyl N-[2-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylethyl]carbamate
CID 84553746

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 31089360) is 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is COc1ccc(OCCSCC(=O)Nc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IEMBBPHXRPEWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-24-15-6-8-16(9-7-15)25-10-11-26-12-17(23)22-14-4-2-13(3-5-14)18(19,20)21/h2-9H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 385.41 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)ethylsulfanyl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 31089360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).