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

C22H23N3O3S — CID 8699469

IUPACN-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccc(C)cc3C)nn2)c(OC)c1
InChIInChI=1S/C22H23N3O3S/c1-14-5-7-17(15(2)11-14)18-9-10-22(25-24-18)29-13-21(26)23-19-8-6-16(27-3)12-20(19)28-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyJVFGTRLYPLTPPI-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.51
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 8699469) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID8699469
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(-c3ccc(C)cc3C)nn2)c(OC)c1
InChIInChI=1S/C22H23N3O3S/c1-14-5-7-17(15(2)11-14)18-9-10-22(25-24-18)29-13-21(26)23-19-8-6-16(27-3)12-20(19)28-4/h5-12H,13H2,1-4H3,(H,23,26)
InChIKeyJVFGTRLYPLTPPI-UHFFFAOYSA-N
XLogP4.51
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2,4-dimethoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 16916712
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8699519
N-cyclopentyl-2-[6-(2,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7672792
N-(2-methoxy-5-methylphenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylacetamide
CID 7207456
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 7788503
2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7502849
N-(3-methoxyphenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502738
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 8699469) is N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(-c3ccc(C)cc3C)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JVFGTRLYPLTPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-5-7-17(15(2)11-14)18-9-10-22(25-24-18)29-13-21(26)23-19-8-6-16(27-3)12-20(19)28-4/h5-12H,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 409.51 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 8699469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).