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

C18H16Cl2N2O2S — CID 75769300

IUPACN-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cc(Cl)cc(Cl)c2)Sc2ccccc21
InChIInChI=1S/C18H16Cl2N2O2S/c1-3-22-14-6-4-5-7-15(14)25-18(2,17(22)24)16(23)21-13-9-11(19)8-12(20)10-13/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyRVIXMAPZJWEEBQ-UHFFFAOYSA-N
MW395.31 g/mol
LogP4.85
Rot. Bonds3

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

N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75769300) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75769300
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC NameN-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCN1C(=O)C(C)(C(=O)Nc2cc(Cl)cc(Cl)c2)Sc2ccccc21
InChIInChI=1S/C18H16Cl2N2O2S/c1-3-22-14-6-4-5-7-15(14)25-18(2,17(22)24)16(23)21-13-9-11(19)8-12(20)10-13/h4-10H,3H2,1-2H3,(H,21,23)
InChIKeyRVIXMAPZJWEEBQ-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 54.85
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-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769299
N-(3,4-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767943
N-(2,5-dimethylphenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769304
4-ethyl-N-(2-ethylphenyl)-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75769293
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
N-[2-(2-chlorophenyl)ethyl]-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768076
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-2-methyl-3-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-1,4-benzothiazine-2-carboxamide
CID 75769325
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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75769300) is N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCN1C(=O)C(C)(C(=O)Nc2cc(Cl)cc(Cl)c2)Sc2ccccc21.
What is the InChIKey of N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is RVIXMAPZJWEEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-3-22-14-6-4-5-7-15(14)25-18(2,17(22)24)16(23)21-13-9-11(19)8-12(20)10-13/h4-10H,3H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 395.31 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-4-ethyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).