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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Related Compounds

Fluoracizine
CID 161562
Ftormetazine
CID 969494
NS6180
CID 11837221
1-Propanone, 3-(diethylamino)-1-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)-, hydrochloride (1:1)
CID 161561
N-benzyl-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 2802738
N-(2-methylphenyl)-2-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)acetamide
CID 954269
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3-methylphenyl)acetamide
CID 2574382
2-(4-methylanilino)-4H-1,4-benzothiazin-3-one
CID 3649400
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
4-(2-fluorobenzyl)-2H-benzo[b][1,4]thiazin-3(4H)-one
CID 3244415
7-[3-(trifluoromethyl)anilino]-4H-1,4-benzothiazin-3-one
CID 86342435

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).