4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C20H22N2O2S — CID 75769293

IUPAC4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C)Sc2ccccc2N(CC)C1=O
InChIInChI=1S/C20H22N2O2S/c1-4-14-10-6-7-11-15(14)21-18(23)20(3)19(24)22(5-2)16-12-8-9-13-17(16)25-20/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyWJXKGEVGAYKQIZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.11
Rot. Bonds4

About 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75769293) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75769293
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C)Sc2ccccc2N(CC)C1=O
InChIInChI=1S/C20H22N2O2S/c1-4-14-10-6-7-11-15(14)21-18(23)20(3)19(24)22(5-2)16-12-8-9-13-17(16)25-20/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyWJXKGEVGAYKQIZ-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768064
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
4-ethyl-2-methyl-3-oxo-N-[3-(propylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,4-benzothiazine-2-carboxamide
CID 75769338
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
4-ethyl-N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767999
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
CID 10829004
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-4-ethyl-2-methyl-1,4-benzothiazin-3-one
CID 75768029
N-(2-ethylphenyl)-3-(3-oxo-1,4-benzothiazin-4-yl)propanamide
CID 9192811

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75769293) is 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCc1ccccc1NC(=O)C1(C)Sc2ccccc2N(CC)C1=O.
What is the InChIKey of 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is WJXKGEVGAYKQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-4-14-10-6-7-11-15(14)21-18(23)20(3)19(24)22(5-2)16-12-8-9-13-17(16)25-20/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).