2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide

C19H19N3O4S — CID 16905728

IUPAC2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C19H19N3O4S/c1-25-14-5-3-6-15(26-2)18(14)19(24)20-10-11-22-17(23)9-8-13(21-22)16-7-4-12-27-16/h3-9,12H,10-11H2,1-2H3,(H,20,24)
InChIKeyGCGOCGRWVDIEAG-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.42
Rot. Bonds7

About 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide

2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 16905728) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID16905728
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C19H19N3O4S/c1-25-14-5-3-6-15(26-2)18(14)19(24)20-10-11-22-17(23)9-8-13(21-22)16-7-4-12-27-16/h3-9,12H,10-11H2,1-2H3,(H,20,24)
InChIKeyGCGOCGRWVDIEAG-UHFFFAOYSA-N
XLogP2.42
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (CID 16905728) is 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCn1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is GCGOCGRWVDIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-14-5-3-6-15(26-2)18(14)19(24)20-10-11-22-17(23)9-8-13(21-22)16-7-4-12-27-16/h3-9,12H,10-11H2,1-2H3,(H,20,24).
What are the key properties of 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 16905728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).