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

C22H26N2O5S — CID 28592739

IUPACN-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O
InChIInChI=1S/C22H26N2O5S/c1-7-24-18-12-20(29-6)19(28-5)11-16(18)15(4)21(30(24,26)27)22(25)23-17-10-8-9-13(2)14(17)3/h8-12H,7H2,1-6H3,(H,23,25)
InChIKeySBULKPDFXFIVRJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.86
Rot. Bonds5

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

N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592739) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592739
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O
InChIInChI=1S/C22H26N2O5S/c1-7-24-18-12-20(29-6)19(28-5)11-16(18)15(4)21(30(24,26)27)22(25)23-17-10-8-9-13(2)14(17)3/h8-12H,7H2,1-6H3,(H,23,25)
InChIKeySBULKPDFXFIVRJ-UHFFFAOYSA-N
XLogP3.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide with MolForge

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Related Compounds

N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592754
1-benzyl-N-(3-chloro-2-methylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592833
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-6,7-dimethoxy-4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592851
N-(3-acetylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610807
N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
N-(2,3-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2599686
6-ethyl-N-(2-methylphenyl)-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814575
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
3-amino-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 16792404
4-bromo-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 78987526
5-amino-N-(2,3-dimethylphenyl)-2-methoxybenzamide
CID 61090377

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592739) is N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is CCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is SBULKPDFXFIVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-7-24-18-12-20(29-6)19(28-5)11-16(18)15(4)21(30(24,26)27)22(25)23-17-10-8-9-13(2)14(17)3/h8-12H,7H2,1-6H3,(H,23,25).
What are the key properties of N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).