N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

C21H23ClN2O6S — CID 28592744

IUPACN-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cc(Cl)ccc2OC)S1(=O)=O
InChIInChI=1S/C21H23ClN2O6S/c1-6-24-16-11-19(30-5)18(29-4)10-14(16)12(2)20(31(24,26)27)21(25)23-15-9-13(22)7-8-17(15)28-3/h7-11H,6H2,1-5H3,(H,23,25)
InChIKeyBYZLRUOFKICYKH-UHFFFAOYSA-N
MW466.94 g/mol
LogP3.91
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592744) has the molecular formula C21H23ClN2O6S and a molecular weight of 466.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592744
Molecular FormulaC21H23ClN2O6S
Molecular Weight466.94 g/mol
Exact Mass466.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
SMILESCCN1c2cc(OC)c(OC)cc2C(C)=C(C(=O)Nc2cc(Cl)ccc2OC)S1(=O)=O
InChIInChI=1S/C21H23ClN2O6S/c1-6-24-16-11-19(30-5)18(29-4)10-14(16)12(2)20(31(24,26)27)21(25)23-15-9-13(22)7-8-17(15)28-3/h7-11H,6H2,1-5H3,(H,23,25)
InChIKeyBYZLRUOFKICYKH-UHFFFAOYSA-N
XLogP3.91
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.94
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,4-difluorophenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592754
N-(2,3-dimethylphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 28592739
N-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592865
N-(5-chloro-2-methoxyphenyl)-5,5-dioxo-6-prop-2-enylbenzo[c][1,2]benzothiazine-9-carboxamide
CID 50814638
2-(5-chloro-2-methoxyanilino)-2-oxoacetate
CID 2300901
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetamide
CID 60842124
1-[(4-chlorophenyl)methyl]-4-hydroxy-N-(2-methoxyphenyl)-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide
CID 54690088
2,5-dichloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 965623
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide (CID 28592744) is N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-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)Nc2cc(Cl)ccc2OC)S1(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is BYZLRUOFKICYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O6S/c1-6-24-16-11-19(30-5)18(29-4)10-14(16)12(2)20(31(24,26)27)21(25)23-15-9-13(22)7-8-17(15)28-3/h7-11H,6H2,1-5H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 466.94 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-ethyl-6,7-dimethoxy-4-methyl-2,2-dioxo-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).