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

C21H21N3O4S — CID 16799423

IUPAC3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-18-9-6-15(7-10-18)8-12-20(25)22-17-5-3-4-16(14-17)19-11-13-21(24-23-19)29(2,26)27/h3-7,9-11,13-14H,8,12H2,1-2H3,(H,22,25)
InChIKeyPQQZLCQPVHFJAV-UHFFFAOYSA-N
MW411.48 g/mol
LogP3.13
Rot. Bonds7

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

3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide (PubChem CID 16799423) has the molecular formula C21H21N3O4S and a molecular weight of 411.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
PubChem CID16799423
Molecular FormulaC21H21N3O4S
Molecular Weight411.48 g/mol
Exact Mass411.13
IUPAC Name3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1
InChIInChI=1S/C21H21N3O4S/c1-28-18-9-6-15(7-10-18)8-12-20(25)22-17-5-3-4-16(14-17)19-11-13-21(24-23-19)29(2,26)27/h3-7,9-11,13-14H,8,12H2,1-2H3,(H,22,25)
InChIKeyPQQZLCQPVHFJAV-UHFFFAOYSA-N
XLogP3.13
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
3-(4-methoxyphenyl)-N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]propanamide
CID 110732503
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788
N-(3-acetamidophenyl)-3-(4-methoxyphenyl)propanamide
CID 2671013
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
N-(3-iodophenyl)-3-(4-methoxyphenyl)propanamide
CID 7688847
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 53041688
3-(4-methoxyphenyl)-N-[3-(methylaminomethyl)phenyl]propanamide
CID 119441047
3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
CID 17439563
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide (CID 16799423) is 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is PQQZLCQPVHFJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4S/c1-28-18-9-6-15(7-10-18)8-12-20(25)22-17-5-3-4-16(14-17)19-11-13-21(24-23-19)29(2,26)27/h3-7,9-11,13-14H,8,12H2,1-2H3,(H,22,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 411.48 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 16799423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).