2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide

C10H10F3NOS — CID 141180792

IUPAC2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)cc(C)c1C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-5-3-6(10(11,12)13)4-7(16-2)8(5)9(14)15/h3-4H,1-2H3,(H2,14,15)
InChIKeyCADWRBBHRJKKEQ-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.83
Rot. Bonds2

About 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide

2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide (PubChem CID 141180792) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
PubChem CID141180792
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
SMILESCSc1cc(C(F)(F)F)cc(C)c1C(N)=O
InChIInChI=1S/C10H10F3NOS/c1-5-3-6(10(11,12)13)4-7(16-2)8(5)9(14)15/h3-4H,1-2H3,(H2,14,15)
InChIKeyCADWRBBHRJKKEQ-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-formyl-6-methyl-4-(trifluoromethyl)benzamide
CID 171015102
2,6-dimethyl-4-(trifluoromethyl)benzoic acid
CID 58167769
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
CID 164892485
2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoic acid;2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoyl chloride
CID 160775976
[2-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid
CID 164891219
2-methylsulfanyl-4-(trifluoromethyl)benzoyl chloride
CID 15452082
1-[2-(difluoromethyl)-6-methyl-4-(trifluoromethyl)phenyl]ethanone
CID 171032659
3-methyl-5-(trifluoromethyl)benzamide
CID 2775571
4-chloro-2-methyl-6-(trifluoromethyl)benzamide
CID 171004117
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
1-[2-amino-3-methyl-5-(trifluoromethyl)phenyl]ethanone
CID 131296470

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide (CID 141180792) is 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide is CSc1cc(C(F)(F)F)cc(C)c1C(N)=O.
What is the InChIKey of 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
The InChIKey is CADWRBBHRJKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-5-3-6(10(11,12)13)4-7(16-2)8(5)9(14)15/h3-4H,1-2H3,(H2,14,15).
What are the key properties of 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide?
2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide has a molecular weight of 249.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 141180792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).