5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

C12H15F3N2OS — CID 106432898

IUPAC5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESCNc1ccc(C)cc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-8-3-4-10(16-2)9(7-8)11(18)17-5-6-19-12(13,14)15/h3-4,7,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyBRIRCUIFADTFTM-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.02
Rot. Bonds5

About 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide

5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (PubChem CID 106432898) has the molecular formula C12H15F3N2OS and a molecular weight of 292.33 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
PubChem CID106432898
Molecular FormulaC12H15F3N2OS
Molecular Weight292.33 g/mol
Exact Mass292.09
IUPAC Name5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
SMILESCNc1ccc(C)cc1C(=O)NCCSC(F)(F)F
InChIInChI=1S/C12H15F3N2OS/c1-8-3-4-10(16-2)9(7-8)11(18)17-5-6-19-12(13,14)15/h3-4,7,16H,5-6H2,1-2H3,(H,17,18)
InChIKeyBRIRCUIFADTFTM-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydrazinyl-4-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 114188316
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
2-[[5-methyl-2-(methylamino)benzoyl]amino]ethyl carbamate
CID 83215678
2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188299
5-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 62511070
5-methyl-2-(methylamino)-N-[(2-methylphenyl)methyl]benzamide
CID 62509176
N-(2-ethoxy-2-methylpropyl)-5-methyl-2-(methylamino)benzamide
CID 114944072
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 107358720
5-bromo-2-fluoro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 113223361
4-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-carboxamide
CID 114188312

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide (CID 106432898) is 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is CNc1ccc(C)cc1C(=O)NCCSC(F)(F)F.
What is the InChIKey of 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
The InChIKey is BRIRCUIFADTFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2OS/c1-8-3-4-10(16-2)9(7-8)11(18)17-5-6-19-12(13,14)15/h3-4,7,16H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide?
5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide has a molecular weight of 292.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide is sourced from PubChem (CID 106432898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).