N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

C18H18N2O2S — CID 75767813

IUPACN-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NCc2ccccc2)Sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-18(16(21)19-12-13-8-4-3-5-9-13)17(22)20(2)14-10-6-7-11-15(14)23-18/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyBMGPFPKLDOQRSB-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.83
Rot. Bonds3

About N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide

N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 75767813) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID75767813
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCN1C(=O)C(C)(C(=O)NCc2ccccc2)Sc2ccccc21
InChIInChI=1S/C18H18N2O2S/c1-18(16(21)19-12-13-8-4-3-5-9-13)17(22)20(2)14-10-6-7-11-15(14)23-18/h3-11H,12H2,1-2H3,(H,19,21)
InChIKeyBMGPFPKLDOQRSB-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.83
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-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686331
N-cyclopropyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 56686333
2,4-dimethyl-3-oxo-N-pyridin-4-yl-1,4-benzothiazine-2-carboxamide
CID 75769735
N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
CID 75769260
2,4-dimethyl-3-oxo-N-pyridin-3-yl-1,4-benzothiazine-2-carboxamide
CID 75767849
N-(3,4-dimethoxyphenyl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767802
2-(azepane-1-carbonyl)-2,4-dimethyl-1,4-benzothiazin-3-one
CID 56686351
N-(1,1-dioxothiolan-3-yl)-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767846
4-benzyl-2-methyl-3-oxo-1,4-benzothiazine-2-carboxylic acid
CID 10829004
2,4-dimethyl-3-oxo-N-(1-propan-2-ylpyrazol-4-yl)-1,4-benzothiazine-2-carboxamide
CID 75767911
4-ethyl-N-[(2-fluorophenyl)methyl]-2-methyl-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75768064
2,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxo-1,4-benzothiazine-2-carboxamide
CID 75767805

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 75767813) is N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is CN1C(=O)C(C)(C(=O)NCc2ccccc2)Sc2ccccc21.
What is the InChIKey of N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is BMGPFPKLDOQRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(16(21)19-12-13-8-4-3-5-9-13)17(22)20(2)14-10-6-7-11-15(14)23-18/h3-11H,12H2,1-2H3,(H,19,21).
What are the key properties of N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75767813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).