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

C22H23N3O3S — CID 8542081

IUPACN-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(-c2ccc(SCC(=O)Nc3ccccc3OCC)nn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-27-17-11-9-16(10-12-17)18-13-14-22(25-24-18)29-15-21(26)23-19-7-5-6-8-20(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26)
InChIKeyYIOFSSUFEJCLDW-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.67
Rot. Bonds9

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

N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 8542081) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID8542081
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCOc1ccc(-c2ccc(SCC(=O)Nc3ccccc3OCC)nn2)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-27-17-11-9-16(10-12-17)18-13-14-22(25-24-18)29-15-21(26)23-19-7-5-6-8-20(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26)
InChIKeyYIOFSSUFEJCLDW-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 7205977
2-[6-(2,4-dimethyl-1,3-thiazol-5-yl)pyridazin-3-yl]sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 7207521
2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7205956
N-(2-chlorophenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699217
N-(2-methoxyphenyl)-2-[6-(4-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672535
ethyl 2-[[2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 8543081
N-(2-ethoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 7919529
2-[[5-(4-butoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 17302195
N-(2-ethoxyphenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3370922
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
2-[[6-(4-ethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 7531375
N-(2-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4276020

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide (CID 8542081) is N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is CCOc1ccc(-c2ccc(SCC(=O)Nc3ccccc3OCC)nn2)cc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is YIOFSSUFEJCLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-27-17-11-9-16(10-12-17)18-13-14-22(25-24-18)29-15-21(26)23-19-7-5-6-8-20(19)28-4-2/h5-14H,3-4,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 409.51 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[6-(4-ethoxyphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 8542081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).