2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

C16H15F3N2OS — CID 99841149

IUPAC2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C16H15F3N2OS/c1-23-14-9-5-2-6-11(14)15(22)21-13-8-4-3-7-12(13)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyYUNMYKRELZQZMN-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.64
Rot. Bonds5

About 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide

2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (PubChem CID 99841149) has the molecular formula C16H15F3N2OS and a molecular weight of 340.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
PubChem CID99841149
Molecular FormulaC16H15F3N2OS
Molecular Weight340.37 g/mol
Exact Mass340.09
IUPAC Name2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
SMILESCSc1ccccc1C(=O)Nc1ccccc1NCC(F)(F)F
InChIInChI=1S/C16H15F3N2OS/c1-23-14-9-5-2-6-11(14)15(22)21-13-8-4-3-7-12(13)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22)
InChIKeyYUNMYKRELZQZMN-UHFFFAOYSA-N
XLogP4.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide (CID 99841149) is 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is CSc1ccccc1C(=O)Nc1ccccc1NCC(F)(F)F.
What is the InChIKey of 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
The InChIKey is YUNMYKRELZQZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2OS/c1-23-14-9-5-2-6-11(14)15(22)21-13-8-4-3-7-12(13)20-10-16(17,18)19/h2-9,20H,10H2,1H3,(H,21,22).
What are the key properties of 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide?
2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide is sourced from PubChem (CID 99841149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).