N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

C20H21ClN2O2S — CID 75768076

IUPACN-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCCc2ccccc2Cl)Sc2ccccc21
InChIInChI=1S/C20H21ClN2O2S/c1-3-23-16-10-6-7-11-17(16)26-20(2,19(23)25)18(24)22-13-12-14-8-4-5-9-15(14)21/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyCPPAPUYPGUMLAL-UHFFFAOYSA-N
MW388.92 g/mol
LogP3.92
Rot. Bonds5

About N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75768076) has the molecular formula C20H21ClN2O2S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75768076
Molecular FormulaC20H21ClN2O2S
Molecular Weight388.92 g/mol
Exact Mass388.10
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)NCCc2ccccc2Cl)Sc2ccccc21
InChIInChI=1S/C20H21ClN2O2S/c1-3-23-16-10-6-7-11-17(16)26-20(2,19(23)25)18(24)22-13-12-14-8-4-5-9-15(14)21/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyCPPAPUYPGUMLAL-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 53.92
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

4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768064
N-(3-ethoxypropyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767979
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
CID 75768040
4-ethyl-2-methyl-3-oxo-N-(4-phenylmethoxyphenyl)-1,4-benzothiazine-2-carboxamide
CID 75767961
4-ethyl-2-methyl-2-[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]-1,4-benzothiazin-3-one
CID 75768089
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
CID 10829004

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75768076) is N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)NCCc2ccccc2Cl)Sc2ccccc21.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is CPPAPUYPGUMLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2S/c1-3-23-16-10-6-7-11-17(16)26-20(2,19(23)25)18(24)22-13-12-14-8-4-5-9-15(14)21/h4-11H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75768076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).