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

C22H20N2O3S — CID 50814575

IUPAC6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3ccccc3C)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C22H20N2O3S/c1-3-24-20-13-12-16(22(25)23-19-10-6-4-8-15(19)2)14-18(20)17-9-5-7-11-21(17)28(24,26)27/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyBEKCIKBJAUNPJL-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.44
Rot. Bonds3

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

6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 50814575) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound Name6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID50814575
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCCN1c2ccc(C(=O)Nc3ccccc3C)cc2-c2ccccc2S1(=O)=O
InChIInChI=1S/C22H20N2O3S/c1-3-24-20-13-12-16(22(25)23-19-10-6-4-8-15(19)2)14-18(20)17-9-5-7-11-21(17)28(24,26)27/h4-14H,3H2,1-2H3,(H,23,25)
InChIKeyBEKCIKBJAUNPJL-UHFFFAOYSA-N
XLogP4.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-(3,4-dimethylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814649
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 95058673
6-ethyl-5,5-dioxo-N-[2-(piperidine-1-carbonyl)phenyl]benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368482
ethyl 4-[(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carbonyl)amino]benzoate
CID 50814743
N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368488
6-ethyl-5,5-dioxo-N-(4-propan-2-yloxyphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 50814654
N-(2,6-dimethylphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814618
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614
N-(2-bicyclo[2.2.1]heptanyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814632
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 98747676
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 50814575) is 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is CCN1c2ccc(C(=O)Nc3ccccc3C)cc2-c2ccccc2S1(=O)=O.
What is the InChIKey of 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is BEKCIKBJAUNPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-3-24-20-13-12-16(22(25)23-19-10-6-4-8-15(19)2)14-18(20)17-9-5-7-11-21(17)28(24,26)27/h4-14H,3H2,1-2H3,(H,23,25).
What are the key properties of 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 50814575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).