2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide

C19H18N4O3S — CID 52992139

IUPAC2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide
SMILESCC(Cn1nc(-c2cccs2)ccc1=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18N4O3S/c1-12(19(26)21-14-6-3-2-5-13(14)18(20)25)11-23-17(24)9-8-15(22-23)16-7-4-10-27-16/h2-10,12H,11H2,1H3,(H2,20,25)(H,21,26)
InChIKeyZHTNPNUKCSWEAW-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.35
Rot. Bonds6

About 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide

2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide (PubChem CID 52992139) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide
PubChem CID52992139
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide
SMILESCC(Cn1nc(-c2cccs2)ccc1=O)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C19H18N4O3S/c1-12(19(26)21-14-6-3-2-5-13(14)18(20)25)11-23-17(24)9-8-15(22-23)16-7-4-10-27-16/h2-10,12H,11H2,1H3,(H2,20,25)(H,21,26)
InChIKeyZHTNPNUKCSWEAW-UHFFFAOYSA-N
XLogP2.35
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide?
The IUPAC name of 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide (CID 52992139) is 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide.
What is the SMILES notation for 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide?
The canonical SMILES for 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide is CC(Cn1nc(-c2cccs2)ccc1=O)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide?
The InChIKey is ZHTNPNUKCSWEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-12(19(26)21-14-6-3-2-5-13(14)18(20)25)11-23-17(24)9-8-15(22-23)16-7-4-10-27-16/h2-10,12H,11H2,1H3,(H2,20,25)(H,21,26).
What are the key properties of 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide?
2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide has a molecular weight of 382.45 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoyl]amino]benzamide is sourced from PubChem (CID 52992139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).