N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

C20H18ClN3O3S — CID 46383839

IUPACN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-13-3-4-14(21)11-17(13)22-18(25)12-28-19-9-10-20(26)24(23-19)15-5-7-16(27-2)8-6-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGSZHMWLYPSHJTJ-UHFFFAOYSA-N
MW415.90 g/mol
LogP3.93
Rot. Bonds6

About N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (PubChem CID 46383839) has the molecular formula C20H18ClN3O3S and a molecular weight of 415.90 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
PubChem CID46383839
Molecular FormulaC20H18ClN3O3S
Molecular Weight415.90 g/mol
Exact Mass415.08
IUPAC NameN-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-n2nc(SCC(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1
InChIInChI=1S/C20H18ClN3O3S/c1-13-3-4-14(21)11-17(13)22-18(25)12-28-19-9-10-20(26)24(23-19)15-5-7-16(27-2)8-6-15/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyGSZHMWLYPSHJTJ-UHFFFAOYSA-N
XLogP3.93
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-methylphenyl)acetamide
CID 20972759
N-(3,4-dimethoxyphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383831
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
N-(5-chloro-2-methylphenyl)-2-[[4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3431395
N-(5-chloro-2-methylphenyl)-2-[[5-[1-(4-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 19640143
2-[[4-amino-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 34883337
N-[(2,5-dimethoxyphenyl)methyl]-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383672
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
N-(5-chloro-2-methylphenyl)-2-[4-(3-methoxyphenyl)-3-oxopyrazin-2-yl]sulfanylacetamide
CID 20942006
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide (CID 46383839) is N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is COc1ccc(-n2nc(SCC(=O)Nc3cc(Cl)ccc3C)ccc2=O)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
The InChIKey is GSZHMWLYPSHJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3S/c1-13-3-4-14(21)11-17(13)22-18(25)12-28-19-9-10-20(26)24(23-19)15-5-7-16(27-2)8-6-15/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide has a molecular weight of 415.90 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 46383839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).