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

C13H16N2O2S — CID 56686331

IUPACN-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCNC(=O)C1(C)Sc2ccccc2N(C)C1=O
InChIInChI=1S/C13H16N2O2S/c1-4-14-11(16)13(2)12(17)15(3)9-7-5-6-8-10(9)18-13/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVBSMSMYXSJROMW-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.65
Rot. Bonds2

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

N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (PubChem CID 56686331) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
PubChem CID56686331
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide
SMILESCCNC(=O)C1(C)Sc2ccccc2N(C)C1=O
InChIInChI=1S/C13H16N2O2S/c1-4-14-11(16)13(2)12(17)15(3)9-7-5-6-8-10(9)18-13/h5-8H,4H2,1-3H3,(H,14,16)
InChIKeyVBSMSMYXSJROMW-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.65
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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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide (CID 56686331) is N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is CCNC(=O)C1(C)Sc2ccccc2N(C)C1=O.
What is the InChIKey of N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
The InChIKey is VBSMSMYXSJROMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-14-11(16)13(2)12(17)15(3)9-7-5-6-8-10(9)18-13/h5-8H,4H2,1-3H3,(H,14,16).
What are the key properties of N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide?
N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-3-oxo-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 56686331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).