2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide

C19H19N3O2S — CID 121076577

IUPAC2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)n1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-13(15-7-4-3-5-8-15)20-19(24)14(2)22-18(23)11-10-16(21-22)17-9-6-12-25-17/h3-14H,1-2H3,(H,20,24)
InChIKeyLAGISSAZQHZYEL-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.41
Rot. Bonds5

About 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide

2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide (PubChem CID 121076577) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
PubChem CID121076577
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
SMILESCC(NC(=O)C(C)n1nc(-c2cccs2)ccc1=O)c1ccccc1
InChIInChI=1S/C19H19N3O2S/c1-13(15-7-4-3-5-8-15)20-19(24)14(2)22-18(23)11-10-16(21-22)17-9-6-12-25-17/h3-14H,1-2H3,(H,20,24)
InChIKeyLAGISSAZQHZYEL-UHFFFAOYSA-N
XLogP3.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076614
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7443510
2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121100940
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076688
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076512
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121119360
1-(4-methylphenyl)-N-[(1R)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267659
1-(4-methylphenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7267654
N-(2-cyano-4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076580
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555
1-(4-chlorophenyl)-N-[(1S)-1-phenylethyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 7414159

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The IUPAC name of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide (CID 121076577) is 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide.
What is the SMILES notation for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The canonical SMILES for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide is CC(NC(=O)C(C)n1nc(-c2cccs2)ccc1=O)c1ccccc1.
What is the InChIKey of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
The InChIKey is LAGISSAZQHZYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13(15-7-4-3-5-8-15)20-19(24)14(2)22-18(23)11-10-16(21-22)17-9-6-12-25-17/h3-14H,1-2H3,(H,20,24).
What are the key properties of 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide?
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide has a molecular weight of 353.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide is sourced from PubChem (CID 121076577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).