N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

C18H21N3O2S — CID 7205845

IUPACN-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H21N3O2S/c1-23-15-8-6-13(7-9-15)16-10-11-18(21-20-16)24-12-17(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)
InChIKeyHUDYDOCTVXMTSS-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.30
Rot. Bonds6

About N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide

N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7205845) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7205845
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1
InChIInChI=1S/C18H21N3O2S/c1-23-15-8-6-13(7-9-15)16-10-11-18(21-20-16)24-12-17(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22)
InChIKeyHUDYDOCTVXMTSS-UHFFFAOYSA-N
XLogP3.30
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]thio]-1-(1-pyrrolidinyl)ethanone
CID 649759
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-(2-methoxybenzyl)-2-((6-(3-nitrophenyl)pyridazin-3-yl)thio)acetamide
CID 7205923
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
3-(4-Methoxyphenyl)-6-(methylthio)pyridazine
CID 7502647
2-((6-(2-methoxyphenyl)pyridazin-3-yl)thio)-N-phenethylacetamide
CID 7502785

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7205845) is N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1.
What is the InChIKey of N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is HUDYDOCTVXMTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-23-15-8-6-13(7-9-15)16-10-11-18(21-20-16)24-12-17(22)19-14-4-2-3-5-14/h6-11,14H,2-5,12H2,1H3,(H,19,22).
What are the key properties of N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 343.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7205845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).