1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C21H24N2O5S — CID 28592715

IUPAC1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(C)cc2)S1(=O)=O
InChIInChI=1S/C21H24N2O5S/c1-6-23-17-12-19(28-5)18(27-4)11-16(17)14(3)20(29(23,25)26)21(24)22-15-9-7-13(2)8-10-15/h7-12H,6H2,1-5H3,(H,22,24)
InChIKeyWUACEVGWAAARNX-UHFFFAOYSA-N
MW416.50 g/mol
LogP3.55
Rot. Bonds5

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

1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592715) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592715
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC Name1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(C)cc2)S1(=O)=O
InChIInChI=1S/C21H24N2O5S/c1-6-23-17-12-19(28-5)18(27-4)11-16(17)14(3)20(29(23,25)26)21(24)22-15-9-7-13(2)8-10-15/h7-12H,6H2,1-5H3,(H,22,24)
InChIKeyWUACEVGWAAARNX-UHFFFAOYSA-N
XLogP3.55
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592726
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
1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592692
N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592637
N-(2,4-dimethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610666
1-benzyl-N-(2,6-diethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592839
N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
1-benzyl-6,7-dimethoxy-4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592851
6,7-dimethoxy-4-methyl-2,2-dioxo-N-(2-phenylethyl)-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610642
6-chloro-N-(4-ethoxyphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592469

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592715) is 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2ccc(C)cc2)S1(=O)=O.
What is the InChIKey of 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is WUACEVGWAAARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-6-23-17-12-19(28-5)18(27-4)11-16(17)14(3)20(29(23,25)26)21(24)22-15-9-7-13(2)8-10-15/h7-12H,6H2,1-5H3,(H,22,24).
What are the key properties of 1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 3.55, 5 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-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).