1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C14H18N2O5S — CID 28592692

IUPAC1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(N)=O)S1(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-5-16-10-7-12(21-4)11(20-3)6-9(10)8(2)13(14(15)17)22(16,18)19/h6-7H,5H2,1-4H3,(H2,15,17)
InChIKeyWXYFYAXHVAFGBY-UHFFFAOYSA-N
MW326.37 g/mol
LogP1.09
Rot. Bonds4

About 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592692) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592692
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(N)=O)S1(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-5-16-10-7-12(21-4)11(20-3)6-9(10)8(2)13(14(15)17)22(16,18)19/h6-7H,5H2,1-4H3,(H2,15,17)
InChIKeyWXYFYAXHVAFGBY-UHFFFAOYSA-N
XLogP1.09
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592863
1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592715
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592744
N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592739
N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592754
dimethyl 2-[(1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carbonyl)amino]benzene-1,4-dicarboxylate
CID 28592769
N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
N-tert-butyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610612
1-benzyl-N-(2,6-diethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592839
1-benzyl-N-(2,6-dimethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592810
N-(3-ethoxypropyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610795
N-[(2R)-butan-2-yl]-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592602

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592692) is 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CCN1c2cc(OC)c(OC)cc2C(C)=C(C(N)=O)S1(=O)=O.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is WXYFYAXHVAFGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-5-16-10-7-12(21-4)11(20-3)6-9(10)8(2)13(14(15)17)22(16,18)19/h6-7H,5H2,1-4H3,(H2,15,17).
What are the key properties of 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).