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

C17H18N2O4S — CID 99969655

IUPACN-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C17H18N2O4S/c1-19-15-8-7-12(17(20)18-9-10-23-2)11-14(15)13-5-3-4-6-16(13)24(19,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyBTZZLAIOUVGCTA-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.87
Rot. Bonds4

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

N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (PubChem CID 99969655) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
PubChem CID99969655
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C
InChIInChI=1S/C17H18N2O4S/c1-19-15-8-7-12(17(20)18-9-10-23-2)11-14(15)13-5-3-4-6-16(13)24(19,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20)
InChIKeyBTZZLAIOUVGCTA-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5,5-dioxo-N-pentan-2-ylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 132654046
N-(4-methoxyphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368424
6-methyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368408
N-(4-bromo-2-fluorophenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814629
3-[3-(4-hydroxy-2-methyl-1,1-dioxo-1λ6,2-benzothiazin-3-yl)-3-oxoprop-1-enyl]-N-(2-methoxyethyl)benzamide
CID 69078355
6-methyl-5,5-dioxo-N-(4-propan-2-ylphenyl)benzo[c][1,2]benzothiazine-9-carboxamide
CID 46368417
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 98668170
N-[2-(butan-2-ylcarbamoyl)phenyl]-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368463
N-(3-chloro-2-methylphenyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368448
N-[2-(4-methoxyphenyl)ethyl]-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50815454
N-(1-methoxypropan-2-yl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 132656227
6-ethyl-N-[(4-methoxyphenyl)methyl]-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814614

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide (CID 99969655) is N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is COCCNC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
The InChIKey is BTZZLAIOUVGCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-19-15-8-7-12(17(20)18-9-10-23-2)11-14(15)13-5-3-4-6-16(13)24(19,21)22/h3-8,11H,9-10H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide?
N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide is sourced from PubChem (CID 99969655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).