2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

C20H19N3O4S — CID 16799410

IUPAC2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-17-8-6-14(7-9-17)12-19(24)21-16-5-3-4-15(13-16)18-10-11-20(23-22-18)28(2,25)26/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyQADNRLZMPOJAGY-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.74
Rot. Bonds6

About 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide

2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (PubChem CID 16799410) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
PubChem CID16799410
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C20H19N3O4S/c1-27-17-8-6-14(7-9-17)12-19(24)21-16-5-3-4-15(13-16)18-10-11-20(23-22-18)28(2,25)26/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyQADNRLZMPOJAGY-UHFFFAOYSA-N
XLogP2.74
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 16799423
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788
2-(4-methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 852161
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide (CID 16799410) is 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
The InChIKey is QADNRLZMPOJAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-27-17-8-6-14(7-9-17)12-19(24)21-16-5-3-4-15(13-16)18-10-11-20(23-22-18)28(2,25)26/h3-11,13H,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide?
2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide has a molecular weight of 397.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide is sourced from PubChem (CID 16799410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).