N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide

C24H22N2O3S — CID 50814618

IUPACN-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
SMILESC=CCN1c2ccc(C(=O)Nc3c(C)cccc3C)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H22N2O3S/c1-4-14-26-21-13-12-18(24(27)25-23-16(2)8-7-9-17(23)3)15-20(21)19-10-5-6-11-22(19)30(26,28)29/h4-13,15H,1,14H2,2-3H3,(H,25,27)
InChIKeyLPCXUULUGYRSEZ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.92
Rot. Bonds4

About N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide

N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 50814618) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID50814618
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
SMILESC=CCN1c2ccc(C(=O)Nc3c(C)cccc3C)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C24H22N2O3S/c1-4-14-26-21-13-12-18(24(27)25-23-16(2)8-7-9-17(23)3)15-20(21)19-10-5-6-11-22(19)30(26,28)29/h4-13,15H,1,14H2,2-3H3,(H,25,27)
InChIKeyLPCXUULUGYRSEZ-UHFFFAOYSA-N
XLogP4.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dioxo-N-(4-propan-2-ylphenyl)-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814656
N-(1,3-benzodioxol-5-yl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814747
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814575
N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368488
N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649
N-(2,6-dimethylphenyl)-2-(9-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)acetamide
CID 23610279
2-(9-bromo-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 17200947
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
ethyl 4-[(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carbonyl)amino]benzoate
CID 50814743
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(2,6-diethylphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592315
N-(2,6-dimethylphenyl)-3-prop-2-enoxybenzamide
CID 2231510

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide (CID 50814618) is N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide is C=CCN1c2ccc(C(=O)Nc3c(C)cccc3C)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is LPCXUULUGYRSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-4-14-26-21-13-12-18(24(27)25-23-16(2)8-7-9-17(23)3)15-20(21)19-10-5-6-11-22(19)30(26,28)29/h4-13,15H,1,14H2,2-3H3,(H,25,27).
What are the key properties of N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide?
N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).