N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

C22H20N2O4S — CID 50814682

IUPACN-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1
InChIInChI=1S/C22H20N2O4S/c1-14-11-15(22(25)23-16-7-6-8-17(13-16)28-3)12-19-18-9-4-5-10-20(18)29(26,27)24(2)21(14)19/h4-13H,1-3H3,(H,23,25)
InChIKeyKYVUPBFFYXPDIW-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.06
Rot. Bonds3

About N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50814682) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50814682
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1
InChIInChI=1S/C22H20N2O4S/c1-14-11-15(22(25)23-16-7-6-8-17(13-16)28-3)12-19-18-9-4-5-10-20(18)29(26,27)24(2)21(14)19/h4-13H,1-3H3,(H,23,25)
InChIKeyKYVUPBFFYXPDIW-UHFFFAOYSA-N
XLogP4.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50815454
N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814607
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
4-bromo-N-(3-methoxyphenyl)-3-methylbenzamide
CID 112705642
3,5-diacetamido-N-(3-methoxyphenyl)benzamide
CID 18104274
N-(3-methoxyphenyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 43022494
N-(3-methoxyphenyl)-1H-pyrrole-3-carboxamide
CID 110691156
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-methoxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 16590326

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 50814682) is N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is COc1cccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is KYVUPBFFYXPDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-14-11-15(22(25)23-16-7-6-8-17(13-16)28-3)12-19-18-9-4-5-10-20(18)29(26,27)24(2)21(14)19/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).