N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

C17H20N4O2S — CID 53368198

IUPACN-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(N2CCSCC2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C17H20N4O2S/c22-16(18-12-14-4-2-1-3-5-14)13-21-17(23)7-6-15(19-21)20-8-10-24-11-9-20/h1-7H,8-13H2,(H,18,22)
InChIKeyHAJLGEYMIFHJMK-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.11
Rot. Bonds5

About N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide

N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (PubChem CID 53368198) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
PubChem CID53368198
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(N2CCSCC2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C17H20N4O2S/c22-16(18-12-14-4-2-1-3-5-14)13-21-17(23)7-6-15(19-21)20-8-10-24-11-9-20/h1-7H,8-13H2,(H,18,22)
InChIKeyHAJLGEYMIFHJMK-UHFFFAOYSA-N
XLogP1.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-(6-oxo-3-thiomorpholin-4-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

Related Compounds

N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide
CID 53371201
2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)-N-(2-phenylethyl)acetamide
CID 51052835
2-(2-oxo-2-thiomorpholin-4-ylethyl)-6-thiomorpholin-4-ylpyridazin-3-one
CID 53371030
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 53369743
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 71708480
N-ethyl-2-[6-oxo-3-(4-phenylpiperazin-1-yl)pyridazin-1-yl]acetamide
CID 53023501
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53023455
2-[3-(4-benzylpiperidin-1-yl)-6-oxopyridazin-1-yl]-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 166429237
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 52901224
N-(3,3-diphenylpropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 52898033
N-[(4-ethylphenyl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053346
N-benzyl-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7666195

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide (CID 53368198) is N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is O=C(Cn1nc(N2CCSCC2)ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
The InChIKey is HAJLGEYMIFHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-16(18-12-14-4-2-1-3-5-14)13-21-17(23)7-6-15(19-21)20-8-10-24-11-9-20/h1-7H,8-13H2,(H,18,22).
What are the key properties of N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide?
N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide has a molecular weight of 344.44 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-oxo-3-thiomorpholin-4-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 53368198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).