N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C20H25N3O3S — CID 3228003

IUPACN-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1OC
InChIInChI=1S/C20H25N3O3S/c1-25-17-10-8-14(12-18(17)26-2)16-9-11-20(23-22-16)27-13-19(24)21-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,21,24)
InChIKeyKEEVAXVLVOGUDG-UHFFFAOYSA-N
MW387.51 g/mol
LogP3.70
Rot. Bonds7

About N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 3228003) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID3228003
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1OC
InChIInChI=1S/C20H25N3O3S/c1-25-17-10-8-14(12-18(17)26-2)16-9-11-20(23-22-16)27-13-19(24)21-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,21,24)
InChIKeyKEEVAXVLVOGUDG-UHFFFAOYSA-N
XLogP3.70
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 53.70
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
2-[6-(3,4-Dimethoxy-phenyl)-pyridazin-3-ylsulfanyl]-1-(2-methyl-2,3-dihydro-indol-1-yl)-ethanone
CID 3228046
N-(3,4-dimethoxyphenethyl)-2-((6-phenylpyridazin-3-yl)thio)acetamide
CID 3228049
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
2-((6-(4-Ethoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7205954
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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 3228003) is N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1OC.
What is the InChIKey of N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is KEEVAXVLVOGUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-25-17-10-8-14(12-18(17)26-2)16-9-11-20(23-22-16)27-13-19(24)21-15-6-4-3-5-7-15/h8-12,15H,3-7,13H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 387.51 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 3228003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).