2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide

C19H19N3O2S — CID 16905716

IUPAC2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C19H19N3O2S/c1-14-4-2-5-15(12-14)13-18(23)20-9-10-22-19(24)8-7-16(21-22)17-6-3-11-25-17/h2-8,11-12H,9-10,13H2,1H3,(H,20,23)
InChIKeySYYUOJKUTDUUIW-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.64
Rot. Bonds6

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

2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (PubChem CID 16905716) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
PubChem CID16905716
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C19H19N3O2S/c1-14-4-2-5-15(12-14)13-18(23)20-9-10-22-19(24)8-7-16(21-22)17-6-3-11-25-17/h2-8,11-12H,9-10,13H2,1H3,(H,20,23)
InChIKeySYYUOJKUTDUUIW-UHFFFAOYSA-N
XLogP2.64
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-phenylacetamide
CID 121169714
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
2-(4-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]propanamide
CID 16675150
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
N-[1-(2-hydroxyethyl)-3-thiophen-2-ylpyrazol-5-yl]-2-(3-methylphenyl)acetamide
CID 110928235
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]naphthalene-1-carboxamide
CID 16905679
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-2-(4-propan-2-ylphenyl)acetamide
CID 121169877
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide (CID 16905716) is 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is Cc1cccc(CC(=O)NCCn2nc(-c3cccs3)ccc2=O)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
The InChIKey is SYYUOJKUTDUUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-4-2-5-15(12-14)13-18(23)20-9-10-22-19(24)8-7-16(21-22)17-6-3-11-25-17/h2-8,11-12H,9-10,13H2,1H3,(H,20,23).
What are the key properties of 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide?
2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 16905716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).