N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

C18H17N3O3S — CID 7659582

IUPACN-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(10-14)11-19-17(22)12-21-18(23)8-7-15(20-21)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyYJKRLCWNLQBHGO-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.30
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide

N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (PubChem CID 7659582) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
PubChem CID7659582
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
SMILESCOc1cccc(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(10-14)11-19-17(22)12-21-18(23)8-7-15(20-21)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,19,22)
InChIKeyYJKRLCWNLQBHGO-UHFFFAOYSA-N
XLogP2.30
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide (CID 7659582) is N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is COc1cccc(CNC(=O)Cn2nc(-c3cccs3)ccc2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
The InChIKey is YJKRLCWNLQBHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-24-14-5-2-4-13(10-14)11-19-17(22)12-21-18(23)8-7-15(20-21)16-6-3-9-25-16/h2-10H,11-12H2,1H3,(H,19,22).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 7659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).