2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide

C22H23N3O5S — CID 41213020

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)nn1
InChIInChI=1S/C22H23N3O5S/c1-4-31(27,28)22-11-9-18(24-25-22)16-6-5-7-17(14-16)23-21(26)13-15-8-10-19(29-2)20(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,23,26)
InChIKeyJMWNGWAFLXYRLO-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.14
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 41213020) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID41213020
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCCS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)nn1
InChIInChI=1S/C22H23N3O5S/c1-4-31(27,28)22-11-9-18(24-25-22)16-6-5-7-17(14-16)23-21(26)13-15-8-10-19(29-2)20(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,23,26)
InChIKeyJMWNGWAFLXYRLO-UHFFFAOYSA-N
XLogP3.14
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18567813
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 16799423
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
2-(3,4-dimethoxyphenyl)-N-(6-phenyl-3-pyridinyl)acetamide
CID 110634746
2-(3,4-dimethoxyphenyl)-N-[3-(ethylaminomethyl)phenyl]acetamide;hydrochloride
CID 119438239

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 41213020) is 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide is CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)Cc3ccc(OC)c(OC)c3)c2)nn1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is JMWNGWAFLXYRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-4-31(27,28)22-11-9-18(24-25-22)16-6-5-7-17(14-16)23-21(26)13-15-8-10-19(29-2)20(12-15)30-3/h5-12,14H,4,13H2,1-3H3,(H,23,26).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 441.51 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 41213020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).