N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide

C18H18N2O2S — CID 75769260

IUPACN,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
SMILESCN(C(=O)C1(C)Sc2ccccc2N(C)C1=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-18(16(21)19(2)13-9-5-4-6-10-13)17(22)20(3)14-11-7-8-12-15(14)23-18/h4-12H,1-3H3
InChIKeyXKCJFYQFMMKGFK-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.18
Rot. Bonds2

About N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide

N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide (PubChem CID 75769260) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
PubChem CID75769260
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide
SMILESCN(C(=O)C1(C)Sc2ccccc2N(C)C1=O)c1ccccc1
InChIInChI=1S/C18H18N2O2S/c1-18(16(21)19(2)13-9-5-4-6-10-13)17(22)20(3)14-11-7-8-12-15(14)23-18/h4-12H,1-3H3
InChIKeyXKCJFYQFMMKGFK-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide (CID 75769260) is N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide is CN(C(=O)C1(C)Sc2ccccc2N(C)C1=O)c1ccccc1.
What is the InChIKey of N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide?
The InChIKey is XKCJFYQFMMKGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-18(16(21)19(2)13-9-5-4-6-10-13)17(22)20(3)14-11-7-8-12-15(14)23-18/h4-12H,1-3H3.
What are the key properties of N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide?
N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-3-oxo-N-phenyl-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 75769260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).