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

C19H23N3O3S — CID 7672792

IUPACN-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-24-14-7-8-15(17(11-14)25-2)16-9-10-19(22-21-16)26-12-18(23)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,23)
InChIKeyRZTOPLHDMPIJQX-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.31
Rot. Bonds7

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

N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7672792) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7672792
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)c(OC)c1
InChIInChI=1S/C19H23N3O3S/c1-24-14-7-8-15(17(11-14)25-2)16-9-10-19(22-21-16)26-12-18(23)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,23)
InChIKeyRZTOPLHDMPIJQX-UHFFFAOYSA-N
XLogP3.31
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-cyclohexyl-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 42763708
N-cyclopentyl-2-(2-methoxyphenyl)sulfanylacetamide
CID 52772357
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-cyclopentylacetamide
CID 7206275
N-cycloheptyl-2-(2,5-dimethoxyphenyl)acetamide
CID 7580886
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 18554148
N-cyclopentyl-2-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7820236
2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7672932
2-[[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7534311
3-(2,4-dimethoxyphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 40532045

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 7672792) is N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)c(OC)c1.
What is the InChIKey of N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is RZTOPLHDMPIJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-24-14-7-8-15(17(11-14)25-2)16-9-10-19(22-21-16)26-12-18(23)20-13-5-3-4-6-13/h7-11,13H,3-6,12H2,1-2H3,(H,20,23).
What are the key properties of N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 373.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7672792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).