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

C20H25N3O2S — CID 7205933

IUPACN-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C20H25N3O2S/c1-2-25-17-10-8-15(9-11-17)18-12-13-20(23-22-18)26-14-19(24)21-16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3,(H,21,24)
InChIKeyMYUMGRCPXLLNIV-UHFFFAOYSA-N
MW371.51 g/mol
LogP4.08
Rot. Bonds7

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

N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7205933) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7205933
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C20H25N3O2S/c1-2-25-17-10-8-15(9-11-17)18-12-13-20(23-22-18)26-14-19(24)21-16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3,(H,21,24)
InChIKeyMYUMGRCPXLLNIV-UHFFFAOYSA-N
XLogP4.08
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Ethoxyphenyl)-6-ethylsulfanylpyridazine
CID 7502726
Ethyl 4-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 7205866
N-(3-methoxybenzyl)-2-[(6-thien-2-ylpyridazin-3-yl)thio]acetamide
CID 16194270
N-Furan-2-ylmethyl-2-[6-(4-methoxy-phenyl)-pyridazin-3-ylsulfanyl]-acetamide
CID 644447
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
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-(2-methoxybenzyl)-2-((6-(3-nitrophenyl)pyridazin-3-yl)thio)acetamide
CID 7205923
2-((6-(4-Ethoxyphenyl)pyridazin-3-yl)thio)-1-morpholinoethanone
CID 7205954

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7205933) is N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is CCOc1ccc(-c2ccc(SCC(=O)NC3CCCCC3)nn2)cc1.
What is the InChIKey of N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is MYUMGRCPXLLNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-2-25-17-10-8-15(9-11-17)18-12-13-20(23-22-18)26-14-19(24)21-16-6-4-3-5-7-16/h8-13,16H,2-7,14H2,1H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 371.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7205933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).