N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C21H24N2O6S — CID 28592637

IUPACN-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-6-29-15-9-7-14(8-10-15)22-21(24)20-13(2)16-11-18(27-4)19(28-5)12-17(16)23(3)30(20,25)26/h7-12H,6H2,1-5H3,(H,22,24)
InChIKeyLWXBSTUDXYGGIW-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.25
Rot. Bonds6

About N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592637) has the molecular formula C21H24N2O6S and a molecular weight of 432.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592637
Molecular FormulaC21H24N2O6S
Molecular Weight432.50 g/mol
Exact Mass432.14
IUPAC NameN-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1
InChIInChI=1S/C21H24N2O6S/c1-6-29-15-9-7-14(8-10-15)22-21(24)20-13(2)16-11-18(27-4)19(28-5)12-17(16)23(3)30(20,25)26/h7-12H,6H2,1-5H3,(H,22,24)
InChIKeyLWXBSTUDXYGGIW-UHFFFAOYSA-N
XLogP3.25
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide with MolForge

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Related Compounds

1-ethyl-6,7-dimethoxy-4-methyl-N-(4-methylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592715
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592744
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(4-ethoxyphenyl)-6,7-dimethyl-5,5-dioxobenzo[c][2,1]benzothiazine-9-carboxamide
CID 50814716
1-benzyl-6,7-dimethoxy-4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592851
5-(3,4-dimethylphenyl)-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 4002543
N-(2,4-dimethylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610666
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592637) is N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CCOc1ccc(NC(=O)C2=C(C)c3cc(OC)c(OC)cc3N(C)S2(=O)=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is LWXBSTUDXYGGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6S/c1-6-29-15-9-7-14(8-10-15)22-21(24)20-13(2)16-11-18(27-4)19(28-5)12-17(16)23(3)30(20,25)26/h7-12H,6H2,1-5H3,(H,22,24).
What are the key properties of N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6,7-dimethoxy-1,4-dimethyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).