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

C21H19N3O4S — CID 46383829

IUPACN-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)ccc2=O)cc1
InChIInChI=1S/C21H19N3O4S/c1-14(25)15-3-5-16(6-4-15)22-19(26)13-29-20-11-12-21(27)24(23-20)17-7-9-18(28-2)10-8-17/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyJNFXLAGRLGBHMT-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.17
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (PubChem CID 46383829) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
PubChem CID46383829
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)ccc2=O)cc1
InChIInChI=1S/C21H19N3O4S/c1-14(25)15-3-5-16(6-4-15)22-19(26)13-29-20-11-12-21(27)24(23-20)17-7-9-18(28-2)10-8-17/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyJNFXLAGRLGBHMT-UHFFFAOYSA-N
XLogP3.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
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-bromophenyl)-2-[6-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 46383917
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
2-[1-(4-acetamidophenyl)tetrazol-5-yl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 1455233
4-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]benzoic acid
CID 47094711
N-(4-acetylphenyl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylbenzimidazol-1-yl]acetamide
CID 46347549
N-(4-acetylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005263

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (CID 46383829) is N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is COc1ccc(-n2nc(SCC(=O)Nc3ccc(C(C)=O)cc3)ccc2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The InChIKey is JNFXLAGRLGBHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-14(25)15-3-5-16(6-4-15)22-19(26)13-29-20-11-12-21(27)24(23-20)17-7-9-18(28-2)10-8-17/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide has a molecular weight of 409.47 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 46383829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).