4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide

C16H14F3NO2S — CID 175987906

IUPAC4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
SMILESNC(=O)c1ccc(SCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)22-13-5-1-11(2-6-13)9-10-23-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H2,20,21)
InChIKeyCCGPQRZNPBVBDB-UHFFFAOYSA-N
MW341.35 g/mol
LogP4.02
Rot. Bonds6

About 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide

4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide (PubChem CID 175987906) has the molecular formula C16H14F3NO2S and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide.

Molecular Properties

Compound Name4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
PubChem CID175987906
Molecular FormulaC16H14F3NO2S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide
SMILESNC(=O)c1ccc(SCCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H14F3NO2S/c17-16(18,19)22-13-5-1-11(2-6-13)9-10-23-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H2,20,21)
InChIKeyCCGPQRZNPBVBDB-UHFFFAOYSA-N
XLogP4.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide 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

4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfamoyl]benzamide
CID 87032752
4-[2-[2-[4-(trifluoromethoxy)phenyl]acetyl]oxyethyl]benzoic acid
CID 157226623
3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanamide
CID 155345859
4-phenylsulfanyl-1-[4-(trifluoromethoxy)phenyl]butan-1-one
CID 132539511
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
4-(2-phenylsulfanylethyl)benzoic acid
CID 22986814
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 91259880
1-(2-phenylethyl)-4-(trifluoromethoxy)benzene
CID 91341581
benzyl 4-(trifluoromethoxy)benzoate
CID 138483399
3-phenylsulfanyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 24584153
pyridine;4-[4-(trifluoromethoxy)benzoyl]benzamide
CID 155345914

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide?
The IUPAC name of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide (CID 175987906) is 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide.
What is the SMILES notation for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide?
The canonical SMILES for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide is NC(=O)c1ccc(SCCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide?
The InChIKey is CCGPQRZNPBVBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S/c17-16(18,19)22-13-5-1-11(2-6-13)9-10-23-14-7-3-12(4-8-14)15(20)21/h1-8H,9-10H2,(H2,20,21).
What are the key properties of 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide?
4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide has a molecular weight of 341.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(trifluoromethoxy)phenyl]ethylsulfanyl]benzamide is sourced from PubChem (CID 175987906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).