N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C16H14F3NO2S — CID 7467642

IUPACN-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO2S/c1-23-14-4-2-3-12(9-14)20-15(21)10-22-13-7-5-11(6-8-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyYGRGMJABFAXPML-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.44
Rot. Bonds5

About N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 7467642) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID7467642
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC NameN-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCSc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C16H14F3NO2S/c1-23-14-4-2-3-12(9-14)20-15(21)10-22-13-7-5-11(6-8-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyYGRGMJABFAXPML-UHFFFAOYSA-N
XLogP4.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-acetamidophenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 9112666
2-(4-acetylphenoxy)-N-(3-methylsulfanylphenyl)acetamide
CID 2709986
N-[3-(phenylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55524065
N,N-dimethyl-3-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 55523564
N-(3-methylsulfanylphenyl)-4-(trifluoromethyl)benzamide
CID 8003067
4-(4-tert-butylphenoxy)-N-(3-methylsulfanylphenyl)butanamide
CID 18229409
N-(3-methylsulfanylphenyl)-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 112778206
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
N-(4-bromo-3-methylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467598
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7467602

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 7467642) is N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is CSc1cccc(NC(=O)COc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is YGRGMJABFAXPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c1-23-14-4-2-3-12(9-14)20-15(21)10-22-13-7-5-11(6-8-13)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 341.35 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 7467642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).