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

C20H21N3O2S — CID 7659573

IUPACN-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-23-20(25)12-11-17(22-23)18-6-4-13-26-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24)
InChIKeyWKWSSFVDNBLYPO-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.95
Rot. Bonds7

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

N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659573) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659573
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCCCCc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-23-20(25)12-11-17(22-23)18-6-4-13-26-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24)
InChIKeyWKWSSFVDNBLYPO-UHFFFAOYSA-N
XLogP3.95
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659573) is N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is CCCCc1ccc(NC(=O)Cn2nc(-c3cccs3)ccc2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is WKWSSFVDNBLYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-23-20(25)12-11-17(22-23)18-6-4-13-26-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24).
What are the key properties of N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 367.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).