N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

C23H22N2O4S — CID 50814716

IUPACN-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C23H22N2O4S/c1-4-29-18-11-9-17(10-12-18)24-23(26)16-13-15(2)22-20(14-16)19-7-5-6-8-21(19)30(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyYARZYIUDFLSXHV-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.45
Rot. Bonds4

About N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide

N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (PubChem CID 50814716) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
PubChem CID50814716
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1
InChIInChI=1S/C23H22N2O4S/c1-4-29-18-11-9-17(10-12-18)24-23(26)16-13-15(2)22-20(14-16)19-7-5-6-8-21(19)30(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26)
InChIKeyYARZYIUDFLSXHV-UHFFFAOYSA-N
XLogP4.45
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylbenzamide
CID 7929215
ethyl 4-[(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carbonyl)amino]benzoate
CID 50814743
N-(4-ethoxyphenyl)naphthalene-2-carboxamide
CID 2600548
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592637

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide (CID 50814716) is N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is CCOc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
The InChIKey is YARZYIUDFLSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-4-29-18-11-9-17(10-12-18)24-23(26)16-13-15(2)22-20(14-16)19-7-5-6-8-21(19)30(27,28)25(22)3/h5-14H,4H2,1-3H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide?
N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).