2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

C16H14F3NOS — CID 9119777

IUPAC2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NOS/c1-22-14-8-3-2-7-13(14)15(21)20-10-11-5-4-6-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDRRXYFSVFXNHLA-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.36
Rot. Bonds4

About 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 9119777) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID9119777
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NOS/c1-22-14-8-3-2-7-13(14)15(21)20-10-11-5-4-6-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21)
InChIKeyDRRXYFSVFXNHLA-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide (CID 9119777) is 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is CSc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is DRRXYFSVFXNHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-22-14-8-3-2-7-13(14)15(21)20-10-11-5-4-6-12(9-11)16(17,18)19/h2-9H,10H2,1H3,(H,20,21).
What are the key properties of 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide?
2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 325.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9119777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).