N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

C21H18N2O4S — CID 46368424

IUPACN-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C21H18N2O4S/c1-23-19-12-7-14(21(24)22-15-8-10-16(27-2)11-9-15)13-18(19)17-5-3-4-6-20(17)28(23,25)26/h3-13H,1-2H3,(H,22,24)
InChIKeyXZASBIZKXVBRRY-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.75
Rot. Bonds3

About N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide

N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 46368424) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID46368424
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC NameN-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C21H18N2O4S/c1-23-19-12-7-14(21(24)22-15-8-10-16(27-2)11-9-15)13-18(19)17-5-3-4-6-20(17)28(23,25)26/h3-13H,1-2H3,(H,22,24)
InChIKeyXZASBIZKXVBRRY-UHFFFAOYSA-N
XLogP3.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814716
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
ethyl 4-[(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carbonyl)amino]benzoate
CID 50814743
6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 132654046
6,7-dimethyl-5,5-dioxo-N-phenylbenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814534
3-hydroxy-N-(4-methoxyphenyl)-1,1-dioxo-1-benzothiophene-2-carboxamide
CID 54679471
6-methoxy-N-[4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57392645

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 46368424) is N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is COc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is XZASBIZKXVBRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-23-19-12-7-14(21(24)22-15-8-10-16(27-2)11-9-15)13-18(19)17-5-3-4-6-20(17)28(23,25)26/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 46368424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).