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

C17H14N2O4S — CID 2810066

IUPACN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccccc3)sc(=O)c2cc1OC
InChIInChI=1S/C17H14N2O4S/c1-22-13-8-11-12(9-14(13)23-2)18-17(24-16(11)21)19-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKTABESZSOYKGKF-UHFFFAOYSA-N
MW342.38 g/mol
LogP2.93
Rot. Bonds4

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

N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide (PubChem CID 2810066) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
PubChem CID2810066
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide
SMILESCOc1cc2nc(NC(=O)c3ccccc3)sc(=O)c2cc1OC
InChIInChI=1S/C17H14N2O4S/c1-22-13-8-11-12(9-14(13)23-2)18-17(24-16(11)21)19-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19,20)
InChIKeyKTABESZSOYKGKF-UHFFFAOYSA-N
XLogP2.93
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.93
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)benzamide?
The IUPAC name of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide (CID 2810066) is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide.
What is the SMILES notation for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
The canonical SMILES for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide is COc1cc2nc(NC(=O)c3ccccc3)sc(=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
The InChIKey is KTABESZSOYKGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-22-13-8-11-12(9-14(13)23-2)18-17(24-16(11)21)19-15(20)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide?
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)benzamide has a molecular weight of 342.38 g/mol, XLogP of 2.93, 4 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)benzamide is sourced from PubChem (CID 2810066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).