4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide

C20H21N3O3S — CID 16885052

IUPAC4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3cccs3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-16-8-6-15(7-9-16)18-10-11-20(25)23(22-18)12-2-5-19(24)21-14-17-4-3-13-27-17/h3-4,6-11,13H,2,5,12,14H2,1H3,(H,21,24)
InChIKeyKLZBGBSIVNDALL-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.08
Rot. Bonds8

About 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 16885052) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
PubChem CID16885052
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide
SMILESCOc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3cccs3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-16-8-6-15(7-9-16)18-10-11-20(25)23(22-18)12-2-5-19(24)21-14-17-4-3-13-27-17/h3-4,6-11,13H,2,5,12,14H2,1H3,(H,21,24)
InChIKeyKLZBGBSIVNDALL-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide (CID 16885052) is 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide is COc1ccc(-c2ccc(=O)n(CCCC(=O)NCc3cccs3)n2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is KLZBGBSIVNDALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-16-8-6-15(7-9-16)18-10-11-20(25)23(22-18)12-2-5-19(24)21-14-17-4-3-13-27-17/h3-4,6-11,13H,2,5,12,14H2,1H3,(H,21,24).
What are the key properties of 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide?
4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 383.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 16885052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).