N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

C23H20N2O4S — CID 46368488

IUPACN-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C23H20N2O4S/c1-3-25-21-12-11-17(23(27)24-18-8-6-7-16(13-18)15(2)26)14-20(21)19-9-4-5-10-22(19)30(25,28)29/h4-14H,3H2,1-2H3,(H,24,27)
InChIKeyAZHGARNXLICHPU-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.34
Rot. Bonds4

About N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368488) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368488
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C23H20N2O4S/c1-3-25-21-12-11-17(23(27)24-18-8-6-7-16(13-18)15(2)26)14-20(21)19-9-4-5-10-22(19)30(25,28)29/h4-14H,3H2,1-2H3,(H,24,27)
InChIKeyAZHGARNXLICHPU-UHFFFAOYSA-N
XLogP4.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(2,4-dimethylpentan-3-yl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814633
N-(3-acetylphenyl)-2-(5,5-dioxo-9-propan-2-ylbenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 17200882
N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814618
5,5-dioxo-N-(4-propan-2-ylphenyl)-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814656
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
N-(1,3-benzodioxol-5-yl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814747
N-(3-acetylphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592321
3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone
CID 50814794
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 46368488) is N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is CCN1c2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is AZHGARNXLICHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-3-25-21-12-11-17(23(27)24-18-8-6-7-16(13-18)15(2)26)14-20(21)19-9-4-5-10-22(19)30(25,28)29/h4-14H,3H2,1-2H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).