2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide

C20H19N3O3S — CID 20972759

IUPAC2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-3-5-15(6-4-14)21-18(24)13-27-19-11-12-20(25)23(22-19)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyMGWVQFDOCDNXNZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.28
Rot. Bonds6

About 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide

2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 20972759) has the molecular formula C20H19N3O3S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID20972759
Molecular FormulaC20H19N3O3S
Molecular Weight381.46 g/mol
Exact Mass381.11
IUPAC Name2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O3S/c1-14-3-5-15(6-4-14)21-18(24)13-27-19-11-12-20(25)23(22-19)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyMGWVQFDOCDNXNZ-UHFFFAOYSA-N
XLogP3.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383831
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46383851
N-(2-methoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383879
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 46383830
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383839
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 40649289
N-(4-bromophenyl)-2-[6-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 46383917
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 4120310
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-methylphenoxy)phenyl]acetamide
CID 55327177
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide (CID 20972759) is 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide is COc1ccc(-n2nc(SCC(=O)Nc3ccc(C)cc3)ccc2=O)cc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is MGWVQFDOCDNXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S/c1-14-3-5-15(6-4-14)21-18(24)13-27-19-11-12-20(25)23(22-19)16-7-9-17(26-2)10-8-16/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 381.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 20972759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).