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

C20H21BrN2O5S — CID 28592726

IUPACN-(3-bromophenyl)-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(Br)c2)S1(=O)=O
InChIInChI=1S/C20H21BrN2O5S/c1-5-23-16-11-18(28-4)17(27-3)10-15(16)12(2)19(29(23,25)26)20(24)22-14-8-6-7-13(21)9-14/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyQICSTOUWNDGLLL-UHFFFAOYSA-N
MW481.37 g/mol
LogP4.01
Rot. Bonds5

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

N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592726) has the molecular formula C20H21BrN2O5S and a molecular weight of 481.37 g/mol. Its IUPAC name is N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592726
Molecular FormulaC20H21BrN2O5S
Molecular Weight481.37 g/mol
Exact Mass480.04
IUPAC NameN-(3-bromophenyl)-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(Br)c2)S1(=O)=O
InChIInChI=1S/C20H21BrN2O5S/c1-5-23-16-11-18(28-4)17(27-3)10-15(16)12(2)19(29(23,25)26)20(24)22-14-8-6-7-13(21)9-14/h6-11H,5H2,1-4H3,(H,22,24)
InChIKeyQICSTOUWNDGLLL-UHFFFAOYSA-N
XLogP4.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-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-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592739
N-(3-acetylphenyl)-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28610807
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592744
4-bromo-N-(3-bromophenyl)-3,5-dimethoxybenzamide
CID 26687629
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-(3-bromophenyl)-2-(6-ethyl-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanylacetamide
CID 22424750
N-(3-acetylphenyl)-6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazine-9-carboxamide
CID 46368488
N-(3-bromophenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3496886
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
5-bromo-N-(3-bromophenyl)-2-methoxy-3-methylbenzamide
CID 3979736

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592726) is N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-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(Br)c2)S1(=O)=O.
What is the InChIKey of N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is QICSTOUWNDGLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O5S/c1-5-23-16-11-18(28-4)17(27-3)10-15(16)12(2)19(29(23,25)26)20(24)22-14-8-6-7-13(21)9-14/h6-11H,5H2,1-4H3,(H,22,24).
What are the key properties of N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 481.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).