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

C23H22N2O3S — CID 50814607

IUPACN-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C23H22N2O3S/c1-4-16-9-5-7-11-20(16)24-23(26)17-13-15(2)22-19(14-17)18-10-6-8-12-21(18)29(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyFHRPMVHABJRWOU-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.62
Rot. Bonds3

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

N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50814607) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50814607
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C23H22N2O3S/c1-4-16-9-5-7-11-20(16)24-23(26)17-13-15(2)22-19(14-17)18-10-6-8-12-21(18)29(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyFHRPMVHABJRWOU-UHFFFAOYSA-N
XLogP4.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6,7-dimethyl-N-[(2-methylphenyl)methyl]-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814556
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
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814575
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
4-bromo-N-(2-ethylphenyl)-3-methylbenzamide
CID 112705717
N-(2-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602480
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
2-chloro-N-(2-ethylphenyl)-6-methylpyridine-4-carboxamide
CID 113378289
N-(2-ethylphenyl)-3-methoxy-4-methylbenzamide
CID 16620352
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 50814607) is N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is CCc1ccccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is FHRPMVHABJRWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c1-4-16-9-5-7-11-20(16)24-23(26)17-13-15(2)22-19(14-17)18-10-6-8-12-21(18)29(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 406.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).