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

C21H20N4O4S3 — CID 75769325

IUPAC4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Sc2ccccc21
InChIInChI=1S/C21H20N4O4S3/c1-3-25-16-6-4-5-7-17(16)31-21(2,19(25)27)18(26)23-14-8-10-15(11-9-14)32(28,29)24-20-22-12-13-30-20/h4-13H,3H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKSLSEFBZYFTLFY-UHFFFAOYSA-N
MW488.62 g/mol
LogP3.80
Rot. Bonds6

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

4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide (PubChem CID 75769325) has the molecular formula C21H20N4O4S3 and a molecular weight of 488.62 g/mol. Its IUPAC name is 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound Name4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide
PubChem CID75769325
Molecular FormulaC21H20N4O4S3
Molecular Weight488.62 g/mol
Exact Mass488.06
IUPAC Name4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Sc2ccccc21
InChIInChI=1S/C21H20N4O4S3/c1-3-25-16-6-4-5-7-17(16)31-21(2,19(25)27)18(26)23-14-8-10-15(11-9-14)32(28,29)24-20-22-12-13-30-20/h4-13H,3H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyKSLSEFBZYFTLFY-UHFFFAOYSA-N
XLogP3.80
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
(2S)-2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 783874
2-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19475273
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
4-chloro-1-ethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 19263270
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
2-(3,4-dimethylphenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 8961470
2-methylsulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 2974593
2-(4-fluoroindol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544010
1-(4-ethoxyphenyl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 25043569

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The IUPAC name of 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide (CID 75769325) is 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)Sc2ccccc21.
What is the InChIKey of 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide?
The InChIKey is KSLSEFBZYFTLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4S3/c1-3-25-16-6-4-5-7-17(16)31-21(2,19(25)27)18(26)23-14-8-10-15(11-9-14)32(28,29)24-20-22-12-13-30-20/h4-13H,3H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide?
4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide has a molecular weight of 488.62 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).