N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C20H22N2O2S — CID 75769304

IUPACN-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cc(C)ccc2C)Sc2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-5-22-16-8-6-7-9-17(16)25-20(4,19(22)24)18(23)21-15-12-13(2)10-11-14(15)3/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyJPHGCVMLQVFSHR-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.16
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75769304) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75769304
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cc(C)ccc2C)Sc2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-5-22-16-8-6-7-9-17(16)25-20(4,19(22)24)18(23)21-15-12-13(2)10-11-14(15)3/h6-12H,5H2,1-4H3,(H,21,23)
InChIKeyJPHGCVMLQVFSHR-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.16
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-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769300
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
4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzothiazin-3-one
CID 75768089
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
N-(2-methoxy-5-methylphenyl)-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide
CID 75797079
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenothiazin-10-ylpropanamide
CID 4222600
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N-(2,5-dimethylphenyl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875274

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75769304) is N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2cc(C)ccc2C)Sc2ccccc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is JPHGCVMLQVFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-5-22-16-8-6-7-9-17(16)25-20(4,19(22)24)18(23)21-15-12-13(2)10-11-14(15)3/h6-12H,5H2,1-4H3,(H,21,23).
What are the key properties of N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).