6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide

C21H18N2O3S — CID 50814534

IUPAC6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C21H18N2O3S/c1-14-12-15(21(24)22-16-8-4-3-5-9-16)13-18-17-10-6-7-11-19(17)27(25,26)23(2)20(14)18/h3-13H,1-2H3,(H,22,24)
InChIKeyGWGQVUUKGCLKTH-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.05
Rot. Bonds2

About 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide

6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50814534) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50814534
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2
InChIInChI=1S/C21H18N2O3S/c1-14-12-15(21(24)22-16-8-4-3-5-9-16)13-18-17-10-6-7-11-19(17)27(25,26)23(2)20(14)18/h3-13H,1-2H3,(H,22,24)
InChIKeyGWGQVUUKGCLKTH-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide with MolForge

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Related Compounds

N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814682
N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814716
N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814607
N-cyclopentyl-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814754
N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 132656227
N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50815454
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368471
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide (CID 50814534) is 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide is Cc1cc(C(=O)Nc2ccccc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2.
What is the InChIKey of 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is GWGQVUUKGCLKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-14-12-15(21(24)22-16-8-4-3-5-9-16)13-18-17-10-6-7-11-19(17)27(25,26)23(2)20(14)18/h3-13H,1-2H3,(H,22,24).
What are the key properties of 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide?
6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).