N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide

C17H20N4O5S — CID 113042946

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C17H20N4O5S/c1-25-13-4-2-3-5-14(13)26-10-17(22)19-16-7-6-15(20-21-16)18-12-8-9-27(23,24)11-12/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyFJRKBETVNVZGCC-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.10
Rot. Bonds7

About N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 113042946) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID113042946
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)Nc1ccc(NC2CCS(=O)(=O)C2)nn1
InChIInChI=1S/C17H20N4O5S/c1-25-13-4-2-3-5-14(13)26-10-17(22)19-16-7-6-15(20-21-16)18-12-8-9-27(23,24)11-12/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21,22)
InChIKeyFJRKBETVNVZGCC-UHFFFAOYSA-N
XLogP1.10
TPSA119.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide with MolForge

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-phenoxyacetamide
CID 113042936
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
N-[6-(cyclohexylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113010088
N-[6-(cycloheptylamino)-3-pyridinyl]-2-(2-methoxyphenoxy)acetamide
CID 113014933
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-2-phenoxyacetamide
CID 113028633
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113042952
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
2-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethoxy]benzoic acid
CID 43214296
2-(2-methoxyphenoxy)-N-[6-(2,4,6-trimethylanilino)pyridazin-3-yl]acetamide
CID 113047016

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide (CID 113042946) is N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)Nc1ccc(NC2CCS(=O)(=O)C2)nn1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is FJRKBETVNVZGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-25-13-4-2-3-5-14(13)26-10-17(22)19-16-7-6-15(20-21-16)18-12-8-9-27(23,24)11-12/h2-7,12H,8-11H2,1H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 392.44 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 113042946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).