N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C18H16N4O3S — CID 7659537

IUPACN-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-22-18(25)9-8-15(21-22)16-3-2-10-26-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyJHMQIZFZCJXJCE-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.57
Rot. Bonds5

About N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659537) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659537
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-22-18(25)9-8-15(21-22)16-3-2-10-26-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24)
InChIKeyJHMQIZFZCJXJCE-UHFFFAOYSA-N
XLogP2.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659537) is N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is CC(=O)Nc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is JHMQIZFZCJXJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-12(23)19-13-4-6-14(7-5-13)20-17(24)11-22-18(25)9-8-15(21-22)16-3-2-10-26-16/h2-10H,11H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 368.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).