N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide

C12H12N2O4S — CID 2810228

IUPACN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide
SMILESCOc1cc2nc(NC(C)=O)sc(=O)c2cc1OC
InChIInChI=1S/C12H12N2O4S/c1-6(15)13-12-14-8-5-10(18-3)9(17-2)4-7(8)11(16)19-12/h4-5H,1-3H3,(H,13,14,15)
InChIKeyWLNHTJKUJHRFEO-UHFFFAOYSA-N
MW280.31 g/mol
LogP1.63
Rot. Bonds3

About N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide

N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide (PubChem CID 2810228) has the molecular formula C12H12N2O4S and a molecular weight of 280.31 g/mol. Its IUPAC name is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide
PubChem CID2810228
Molecular FormulaC12H12N2O4S
Molecular Weight280.31 g/mol
Exact Mass280.05
IUPAC NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide
SMILESCOc1cc2nc(NC(C)=O)sc(=O)c2cc1OC
InChIInChI=1S/C12H12N2O4S/c1-6(15)13-12-14-8-5-10(18-3)9(17-2)4-7(8)11(16)19-12/h4-5H,1-3H3,(H,13,14,15)
InChIKeyWLNHTJKUJHRFEO-UHFFFAOYSA-N
XLogP1.63
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide?
The IUPAC name of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide (CID 2810228) is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide is COc1cc2nc(NC(C)=O)sc(=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide?
The InChIKey is WLNHTJKUJHRFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-6(15)13-12-14-8-5-10(18-3)9(17-2)4-7(8)11(16)19-12/h4-5H,1-3H3,(H,13,14,15).
What are the key properties of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide?
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide has a molecular weight of 280.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 2810228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).