N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C22H23N3O3S — CID 3228049

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-27-19-10-8-16(14-20(19)28-2)12-13-23-21(26)15-29-22-11-9-18(24-25-22)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyYDHDNTQTSYAXCB-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.61
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 3228049) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID3228049
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESCOc1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1OC
InChIInChI=1S/C22H23N3O3S/c1-27-19-10-8-16(14-20(19)28-2)12-13-23-21(26)15-29-22-11-9-18(24-25-22)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,26)
InChIKeyYDHDNTQTSYAXCB-UHFFFAOYSA-N
XLogP3.61
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194270
Ethyl 4-(2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetyl)piperazine-1-carboxylate
CID 16194987
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
CID 649759
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(4-morpholinyl)ethanone
CID 654821
N-Cyclohexyl-2-[6-(3,4-dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 3228003
2-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3228046
N-cyclopentyl-2-((6-(3,4-dimethoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7205812
N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7205845
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
CID 7205933
N-cyclohexyl-2-((6-(3-methoxyphenyl)pyridazin-3-yl)thio)acetamide
CID 7206214
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(2,3-dimethylphenyl)acetamide
CID 7206276
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-(3-fluoro-4-methylphenyl)acetamide
CID 7206330

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 3228049) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is COc1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is YDHDNTQTSYAXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-27-19-10-8-16(14-20(19)28-2)12-13-23-21(26)15-29-22-11-9-18(24-25-22)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 409.51 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 3228049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).