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

C18H17N3O3S — CID 16905657

IUPAC3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(12-14)18(23)19-9-10-21-17(22)8-7-15(20-21)16-6-3-11-25-16/h2-8,11-12H,9-10H2,1H3,(H,19,23)
InChIKeyGAVBAJPFYRTSTB-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.41
Rot. Bonds6

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

3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (PubChem CID 16905657) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
PubChem CID16905657
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(12-14)18(23)19-9-10-21-17(22)8-7-15(20-21)16-6-3-11-25-16/h2-8,11-12H,9-10H2,1H3,(H,19,23)
InChIKeyGAVBAJPFYRTSTB-UHFFFAOYSA-N
XLogP2.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 121049951
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-3-(trifluoromethoxy)benzamide
CID 121169854
3-(2-methoxyphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 121034572
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 16905716
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide (CID 16905657) is 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is COc1cccc(C(=O)NCCn2nc(-c3cccs3)ccc2=O)c1.
What is the InChIKey of 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
The InChIKey is GAVBAJPFYRTSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(12-14)18(23)19-9-10-21-17(22)8-7-15(20-21)16-6-3-11-25-16/h2-8,11-12H,9-10H2,1H3,(H,19,23).
What are the key properties of 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide?
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 16905657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).