2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C16H11F3N2O2S — CID 45479195

IUPAC2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)11-6-2-3-7-12(11)20-14(22)9-21-15(23)10-5-1-4-8-13(10)24-21/h1-8H,9H2,(H,20,22)
InChIKeyZOXQDDGDFNYPSB-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 45479195) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID45479195
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1sc2ccccc2c1=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H11F3N2O2S/c17-16(18,19)11-6-2-3-7-12(11)20-14(22)9-21-15(23)10-5-1-4-8-13(10)24-21/h1-8H,9H2,(H,20,22)
InChIKeyZOXQDDGDFNYPSB-UHFFFAOYSA-N
XLogP3.72
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 45479195) is 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is ZOXQDDGDFNYPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c17-16(18,19)11-6-2-3-7-12(11)20-14(22)9-21-15(23)10-5-1-4-8-13(10)24-21/h1-8H,9H2,(H,20,22).
What are the key properties of 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 352.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,2-benzothiazol-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 45479195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).