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

C21H20N4O2S — CID 75768040

IUPAC4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(-n3cccn3)cc2)Sc2ccccc21
InChIInChI=1S/C21H20N4O2S/c1-3-24-17-7-4-5-8-18(17)28-21(2,20(24)27)19(26)23-15-9-11-16(12-10-15)25-14-6-13-22-25/h4-14H,3H2,1-2H3,(H,23,26)
InChIKeyBYMKSZSWPMDXAZ-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.73
Rot. Bonds4

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

4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide (PubChem CID 75768040) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
PubChem CID75768040
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(-n3cccn3)cc2)Sc2ccccc21
InChIInChI=1S/C21H20N4O2S/c1-3-24-17-7-4-5-8-18(17)28-21(2,20(24)27)19(26)23-15-9-11-16(12-10-15)25-14-6-13-22-25/h4-14H,3H2,1-2H3,(H,23,26)
InChIKeyBYMKSZSWPMDXAZ-UHFFFAOYSA-N
XLogP3.73
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
2,4-dimethyl-3-oxo-N-pyridin-4-yl-1,4-benzothiazine-2-carboxamide
CID 75769735
N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768076
4-ethyl-2-(4-ethylpiperazine-1-carbonyl)-2-methyl-1,4-benzothiazin-3-one
CID 75768019
2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
CID 75767849
3-methyl-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119702351
4-(methoxymethyl)-N-(4-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 120619785
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide (CID 75768040) is 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2ccc(-n3cccn3)cc2)Sc2ccccc21.
What is the InChIKey of 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide?
The InChIKey is BYMKSZSWPMDXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-3-24-17-7-4-5-8-18(17)28-21(2,20(24)27)19(26)23-15-9-11-16(12-10-15)25-14-6-13-22-25/h4-14H,3H2,1-2H3,(H,23,26).
What are the key properties of 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide?
4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-oxo-N-(4-pyrazol-1-ylphenyl)-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75768040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).