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

C20H21N3O3S — CID 121076808

IUPACN-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-20(2,19(25)21-13-14-6-4-7-15(12-14)26-3)23-18(24)10-9-16(22-23)17-8-5-11-27-17/h4-12H,13H2,1-3H3,(H,21,25)
InChIKeyNWXLENOHTUUFMM-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.03
Rot. Bonds6

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

N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076808) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076808
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCOc1cccc(CNC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)c1
InChIInChI=1S/C20H21N3O3S/c1-20(2,19(25)21-13-14-6-4-7-15(12-14)26-3)23-18(24)10-9-16(22-23)17-8-5-11-27-17/h4-12H,13H2,1-3H3,(H,21,25)
InChIKeyNWXLENOHTUUFMM-UHFFFAOYSA-N
XLogP3.03
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076846
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076845
N-(4,6-dimethylpyrimidin-2-yl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076950
3-methoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905657
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076772
3-hydroxy-N-[(3-methoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 66746123
N-[(3-methoxyphenyl)methyl]-4-thiophen-2-ylpyrrolo[1,2-b]pyridazine-2-carboxamide
CID 134792332
2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 121076871
(6R)-5-[(3-methoxyphenyl)methyl]-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 95062599
N-[(4-fluorophenyl)methyl]-5-[(3-methoxyphenyl)methyl]-6-methyl-4-oxo-2-thiophen-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 53049256
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
2-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076958

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076808) is N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is COc1cccc(CNC(=O)C(C)(C)n2nc(-c3cccs3)ccc2=O)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is NWXLENOHTUUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-20(2,19(25)21-13-14-6-4-7-15(12-14)26-3)23-18(24)10-9-16(22-23)17-8-5-11-27-17/h4-12H,13H2,1-3H3,(H,21,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-[(3-methoxyphenyl)methyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.03, 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-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).