N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide

C16H12F3NO2S — CID 2562584

IUPACN-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1
InChIInChI=1S/C16H12F3NO2S/c17-16(18,19)12-7-4-8-13(9-12)23-10-14(21)20-15(22)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22)
InChIKeyBGTNKZSKVGNTLI-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.75
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide (PubChem CID 2562584) has the molecular formula C16H12F3NO2S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide
PubChem CID2562584
Molecular FormulaC16H12F3NO2S
Molecular Weight339.34 g/mol
Exact Mass339.05
IUPAC NameN-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1
InChIInChI=1S/C16H12F3NO2S/c17-16(18,19)12-7-4-8-13(9-12)23-10-14(21)20-15(22)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22)
InChIKeyBGTNKZSKVGNTLI-UHFFFAOYSA-N
XLogP3.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide (CID 2562584) is N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide is O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide?
The InChIKey is BGTNKZSKVGNTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO2S/c17-16(18,19)12-7-4-8-13(9-12)23-10-14(21)20-15(22)11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21,22).
What are the key properties of N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide?
N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide has a molecular weight of 339.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)phenyl]sulfanylacetyl]benzamide is sourced from PubChem (CID 2562584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).