N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

C25H21N3O3S — CID 46323693

IUPACN-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-21-11-13-22(14-12-21)32-23-15-16-24(29)28(27-23)20-9-7-19(8-10-20)25(30)26-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,30)
InChIKeyZYJSWOZFGAVYCS-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.32
Rot. Bonds7

About N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide

N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (PubChem CID 46323693) has the molecular formula C25H21N3O3S and a molecular weight of 443.53 g/mol. Its IUPAC name is N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
PubChem CID46323693
Molecular FormulaC25H21N3O3S
Molecular Weight443.53 g/mol
Exact Mass443.13
IUPAC NameN-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
SMILESCOc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H21N3O3S/c1-31-21-11-13-22(14-12-21)32-23-15-16-24(29)28(27-23)20-9-7-19(8-10-20)25(30)26-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,30)
InChIKeyZYJSWOZFGAVYCS-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide 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-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-(3-methoxypropyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323873
N-benzyl-1-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53006530
N-benzyl-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373063
4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 44763333
4-methoxy-N-[[3-[[(4-methoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 4118576
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
1-benzyl-3-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]urea
CID 42732916
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-benzyl-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 13413916
N-benzyl-5-(methoxymethyl)-1-(4-methoxyphenyl)triazole-4-carboxamide
CID 16651847

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide (CID 46323693) is N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is COc1ccc(Sc2ccc(=O)n(-c3ccc(C(=O)NCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
The InChIKey is ZYJSWOZFGAVYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3S/c1-31-21-11-13-22(14-12-21)32-23-15-16-24(29)28(27-23)20-9-7-19(8-10-20)25(30)26-17-18-5-3-2-4-6-18/h2-16H,17H2,1H3,(H,26,30).
What are the key properties of N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide?
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide has a molecular weight of 443.53 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 46323693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).