2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide

C15H12F3NO2S — CID 43034362

IUPAC2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO2S/c1-22-13-9-5-2-6-10(13)14(20)19-11-7-3-4-8-12(11)21-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyDIDQONWCTBBAIH-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.56
Rot. Bonds4

About 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide

2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 43034362) has the molecular formula C15H12F3NO2S and a molecular weight of 327.33 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID43034362
Molecular FormulaC15H12F3NO2S
Molecular Weight327.33 g/mol
Exact Mass327.05
IUPAC Name2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1OC(F)(F)F
InChIInChI=1S/C15H12F3NO2S/c1-22-13-9-5-2-6-10(13)14(20)19-11-7-3-4-8-12(11)21-15(16,17)18/h2-9H,1H3,(H,19,20)
InChIKeyDIDQONWCTBBAIH-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 17395074
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 99841149
2,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]thiophene-3-carboxamide
CID 43034383
N-(2-ethylsulfanylphenyl)-2-methylsulfanylbenzamide
CID 28577649
N-(2-ethylphenyl)-2-methylsulfanylbenzamide
CID 973960
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
2-(difluoromethylsulfanyl)-N-(2-methoxyphenyl)benzamide
CID 17424318
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
2-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 1250224
2-(2-methylphenyl)sulfanyl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 35202352

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 43034362) is 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide is CSc1ccccc1C(=O)Nc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is DIDQONWCTBBAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2S/c1-22-13-9-5-2-6-10(13)14(20)19-11-7-3-4-8-12(11)21-15(16,17)18/h2-9H,1H3,(H,19,20).
What are the key properties of 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 43034362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).