2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

C23H25N3O2S — CID 8699519

IUPAC2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(C)cc2C)nn1
InChIInChI=1S/C23H25N3O2S/c1-16-8-9-19(17(2)14-16)20-10-11-23(26-25-20)29-15-22(27)24-13-12-18-6-4-5-7-21(18)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyONGUWXZUUGWDQU-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.22
Rot. Bonds8

About 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 8699519) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID8699519
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(C)cc2C)nn1
InChIInChI=1S/C23H25N3O2S/c1-16-8-9-19(17(2)14-16)20-10-11-23(26-25-20)29-15-22(27)24-13-12-18-6-4-5-7-21(18)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27)
InChIKeyONGUWXZUUGWDQU-UHFFFAOYSA-N
XLogP4.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936648
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18562271
N-[2-(2-methoxyphenyl)ethyl]-2-[6-(3-nitrophenyl)pyridazin-3-yl]sulfanylacetamide
CID 18562234
2-[6-(2-methylphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 8699651
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 17412252
N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469
2-[6-(4-imidazol-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 16832574
2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 7672932
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7672766
N-[2-(2-methoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 26777809

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 8699519) is 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CSc1ccc(-c2ccc(C)cc2C)nn1.
What is the InChIKey of 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is ONGUWXZUUGWDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-16-8-9-19(17(2)14-16)20-10-11-23(26-25-20)29-15-22(27)24-13-12-18-6-4-5-7-21(18)28-3/h4-11,14H,12-13,15H2,1-3H3,(H,24,27).
What are the key properties of 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 407.54 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 8699519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).