N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

C20H21N3O3S — CID 121076772

IUPACN-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-9-6-5-8-14(16)21-19(25)20(2,3)23-18(24)12-11-15(22-23)17-10-7-13-27-17/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyLDPYMDGCPIHPNN-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.74
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide

N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (PubChem CID 121076772) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
PubChem CID121076772
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
SMILESCCOc1ccccc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C20H21N3O3S/c1-4-26-16-9-6-5-8-14(16)21-19(25)20(2,3)23-18(24)12-11-15(22-23)17-10-7-13-27-17/h5-13H,4H2,1-3H3,(H,21,25)
InChIKeyLDPYMDGCPIHPNN-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethoxyphenyl)-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-ethoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 2580293
N-[2-(4-methoxyphenoxy)ethyl]-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076846
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 121049972
1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
CID 71797234
N-(2-ethoxyphenyl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464389
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 8505147
methyl 2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetate
CID 51043067
2-[1-(4-benzhydrylpiperazin-1-yl)-2-methyl-1-oxopropan-2-yl]-6-thiophen-2-ylpyridazin-3-one
CID 121076854
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
2,6-dimethoxy-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905728
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121034554
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide (CID 121076772) is N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is CCOc1ccccc1NC(=O)C(C)(C)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
The InChIKey is LDPYMDGCPIHPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-4-26-16-9-6-5-8-14(16)21-19(25)20(2,3)23-18(24)12-11-15(22-23)17-10-7-13-27-17/h5-13H,4H2,1-3H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide?
N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-methyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121076772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).