N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide

C16H11F3N2OS — CID 2769205

IUPACN-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N
InChIInChI=1S/C16H11F3N2OS/c1-23-14-6-5-13(8-11(14)9-20)21-15(22)10-3-2-4-12(7-10)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyWUFNGZLRNWEDMN-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.55
Rot. Bonds3

About N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide

N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 2769205) has the molecular formula C16H11F3N2OS and a molecular weight of 336.34 g/mol. Its IUPAC name is N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID2769205
Molecular FormulaC16H11F3N2OS
Molecular Weight336.34 g/mol
Exact Mass336.05
IUPAC NameN-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
SMILESCSc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N
InChIInChI=1S/C16H11F3N2OS/c1-23-14-6-5-13(8-11(14)9-20)21-15(22)10-3-2-4-12(7-10)16(17,18)19/h2-8H,1H3,(H,21,22)
InChIKeyWUFNGZLRNWEDMN-UHFFFAOYSA-N
XLogP4.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)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

N-[3-cyano-4-[(R)-methylsulfinyl]phenyl]-3-(trifluoromethyl)benzamide
CID 11864207
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623
N-[4-(4-chlorophenyl)sulfonyl-3-cyanophenyl]-3-(trifluoromethyl)benzamide
CID 2769179
N-(3-bromo-4-fluorophenyl)-3-(trifluoromethyl)benzamide
CID 104779331
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-(3-formamidophenyl)-3-(trifluoromethyl)benzamide
CID 86646005
N-(4-ethynylphenyl)-3-(trifluoromethyl)benzamide
CID 3751377
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-[3-fluoro-4-(trifluoromethylsulfonylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 155550237
N-[3-amino-4-(4-hydroxyphenyl)sulfanylphenyl]-3-(trifluoromethyl)benzamide
CID 66808611
N-[3-cyano-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]phenyl]-4-fluorobenzamide
CID 40822490
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide (CID 2769205) is N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide is CSc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N.
What is the InChIKey of N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is WUFNGZLRNWEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2OS/c1-23-14-6-5-13(8-11(14)9-20)21-15(22)10-3-2-4-12(7-10)16(17,18)19/h2-8H,1H3,(H,21,22).
What are the key properties of N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide?
N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 336.34 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2769205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).