1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide

C22H18N2O3S — CID 28592084

IUPAC1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C22H18N2O3S/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(28(24,26)27)22(25)23-17-12-6-3-7-13-17/h2-15H,1H3,(H,23,25)
InChIKeyYQXIWAPZIXXBRK-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.86
Rot. Bonds3

About 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide

1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide (PubChem CID 28592084) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
PubChem CID28592084
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide
SMILESCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2)S1(=O)=O
InChIInChI=1S/C22H18N2O3S/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(28(24,26)27)22(25)23-17-12-6-3-7-13-17/h2-15H,1H3,(H,23,25)
InChIKeyYQXIWAPZIXXBRK-UHFFFAOYSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-6-chloro-1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592421
ethyl 2-[(1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carbonyl)amino]benzoate
CID 28592107
6-chloro-N-(4-ethylphenyl)-1-methyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592389
6-chloro-1-methyl-N-(2-methylsulfanylphenyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592417
ethyl 4-[(1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carbonyl)amino]benzoate
CID 28592199
N-(3-acetylphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592321
6-chloro-1-methyl-2,2-dioxo-4-phenyl-N-(2-phenylsulfanylphenyl)-2λ6,1-benzothiazine-3-carboxamide
CID 43883014
N-(4-ethoxyphenyl)-2,2-dioxo-4-phenyl-1-prop-2-enyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592290
N-(2-carbamoylphenyl)-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592245
6-chloro-1-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592416
N-benzhydryl-1-ethyl-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592242
6-chloro-1-methyl-N-(3-methylbutyl)-2,2-dioxo-4-phenyl-2λ6,1-benzothiazine-3-carboxamide
CID 28592413

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide?
The IUPAC name of 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide (CID 28592084) is 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide.
What is the SMILES notation for 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide?
The canonical SMILES for 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide is CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2)S1(=O)=O.
What is the InChIKey of 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide?
The InChIKey is YQXIWAPZIXXBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-24-19-15-9-8-14-18(19)20(16-10-4-2-5-11-16)21(28(24,26)27)22(25)23-17-12-6-3-7-13-17/h2-15H,1H3,(H,23,25).
What are the key properties of 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide?
1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,2-dioxo-N,4-diphenyl-2λ6,1-benzothiazine-3-carboxamide is sourced from PubChem (CID 28592084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).