N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

C21H21N3O5S — CID 46383831

IUPACN-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O5S/c1-27-16-7-5-15(6-8-16)24-21(26)11-10-20(23-24)30-13-19(25)22-14-4-9-17(28-2)18(12-14)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyNDHVJSDICLEHBB-UHFFFAOYSA-N
MW427.48 g/mol
LogP2.99
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (PubChem CID 46383831) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
PubChem CID46383831
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)ccc2=O)cc1
InChIInChI=1S/C21H21N3O5S/c1-27-16-7-5-15(6-8-16)24-21(26)11-10-20(23-24)30-13-19(25)22-14-4-9-17(28-2)18(12-14)29-3/h4-12H,13H2,1-3H3,(H,22,25)
InChIKeyNDHVJSDICLEHBB-UHFFFAOYSA-N
XLogP2.99
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
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
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 46383851
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383839
N-[2-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-4-methoxybenzamide
CID 16825721
(2R)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881984
(2S)-N-(3,4-dimethoxyphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92881985
2-[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1175593
N-[(2,5-dimethoxyphenyl)methyl]-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383672
N-(3,4-dimethoxyphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 2500878

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (CID 46383831) is N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is COc1ccc(-n2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)ccc2=O)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The InChIKey is NDHVJSDICLEHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c1-27-16-7-5-15(6-8-16)24-21(26)11-10-20(23-24)30-13-19(25)22-14-4-9-17(28-2)18(12-14)29-3/h4-12H,13H2,1-3H3,(H,22,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide has a molecular weight of 427.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 46383831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).