6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

C21H18N2O3S — CID 46368408

IUPAC6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C21H18N2O3S/c1-14-7-3-5-9-18(14)22-21(24)15-11-12-19-17(13-15)16-8-4-6-10-20(16)27(25,26)23(19)2/h3-13H,1-2H3,(H,22,24)
InChIKeyIQBXUVMTFSYYDH-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.05
Rot. Bonds2

About 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368408) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368408
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C21H18N2O3S/c1-14-7-3-5-9-18(14)22-21(24)15-11-12-19-17(13-15)16-8-4-6-10-20(16)27(25,26)23(19)2/h3-13H,1-2H3,(H,22,24)
InChIKeyIQBXUVMTFSYYDH-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

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Related Compounds

N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814575
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
6-methyl-5,5-dioxo-N-[4-(trifluoromethyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368471
6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 132654046
N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814607
N-(2-methylphenyl)naphthalene-2-carboxamide
CID 790563
6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814534
N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814618
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 98668170

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 46368408) is 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is Cc1ccccc1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is IQBXUVMTFSYYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-14-7-3-5-9-18(14)22-21(24)15-11-12-19-17(13-15)16-8-4-6-10-20(16)27(25,26)23(19)2/h3-13H,1-2H3,(H,22,24).
What are the key properties of 6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]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-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).