2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide

C17H13F3N2O2S — CID 2822283

IUPAC2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-6-7-14-13(8-11)22(16(24)10-25-14)9-15(23)21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,21,23)
InChIKeyDXDBTOCRBNNMGN-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.78
Rot. Bonds3

About 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide

2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide (PubChem CID 2822283) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide
PubChem CID2822283
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide
SMILESO=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)11-6-7-14-13(8-11)22(16(24)10-25-14)9-15(23)21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,21,23)
InChIKeyDXDBTOCRBNNMGN-UHFFFAOYSA-N
XLogP3.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide (CID 2822283) is 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide is O=C(CN1C(=O)CSc2ccc(C(F)(F)F)cc21)Nc1ccccc1.
What is the InChIKey of 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide?
The InChIKey is DXDBTOCRBNNMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)11-6-7-14-13(8-11)22(16(24)10-25-14)9-15(23)21-12-4-2-1-3-5-12/h1-8H,9-10H2,(H,21,23).
What are the key properties of 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide?
2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide has a molecular weight of 366.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 2822283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).