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

C15H12N2O5S — CID 2810064

IUPACN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3ccco3)sc(=O)c2cc1OC
InChIInChI=1S/C15H12N2O5S/c1-20-11-6-8-9(7-12(11)21-2)16-15(23-14(8)19)17-13(18)10-4-3-5-22-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyOHNPGTLZUDWTGC-UHFFFAOYSA-N
MW332.34 g/mol
LogP2.52
Rot. Bonds4

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

N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide (PubChem CID 2810064) has the molecular formula C15H12N2O5S and a molecular weight of 332.34 g/mol. Its IUPAC name is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide
PubChem CID2810064
Molecular FormulaC15H12N2O5S
Molecular Weight332.34 g/mol
Exact Mass332.05
IUPAC NameN-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide
SMILESCOc1cc2nc(NC(=O)c3ccco3)sc(=O)c2cc1OC
InChIInChI=1S/C15H12N2O5S/c1-20-11-6-8-9(7-12(11)21-2)16-15(23-14(8)19)17-13(18)10-4-3-5-22-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyOHNPGTLZUDWTGC-UHFFFAOYSA-N
XLogP2.52
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide?
The IUPAC name of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide (CID 2810064) is N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide is COc1cc2nc(NC(=O)c3ccco3)sc(=O)c2cc1OC.
What is the InChIKey of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide?
The InChIKey is OHNPGTLZUDWTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O5S/c1-20-11-6-8-9(7-12(11)21-2)16-15(23-14(8)19)17-13(18)10-4-3-5-22-10/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide?
N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dimethoxy-4-oxo-3,1-benzothiazin-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2810064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).