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

C17H13F3N2O2S — CID 2884346

IUPAC2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-6-7-13-12(8-10)22-16(24)14(25-13)9-15(23)21-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,21,23)(H,22,24)
InChIKeyRGBAWINZYQCYTK-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.15
Rot. Bonds3

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

2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide (PubChem CID 2884346) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide
PubChem CID2884346
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide
SMILESO=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-6-7-13-12(8-10)22-16(24)14(25-13)9-15(23)21-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,21,23)(H,22,24)
InChIKeyRGBAWINZYQCYTK-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide?
The IUPAC name of 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide (CID 2884346) is 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide?
The canonical SMILES for 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide is O=C(CC1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1.
What is the InChIKey of 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide?
The InChIKey is RGBAWINZYQCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)10-6-7-13-12(8-10)22-16(24)14(25-13)9-15(23)21-11-4-2-1-3-5-11/h1-8,14H,9H2,(H,21,23)(H,22,24).
What are the key properties of 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide?
2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide has a molecular weight of 366.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]-N-phenylacetamide is sourced from PubChem (CID 2884346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).