N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide

C26H23N3O3S — CID 18567788

IUPACN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)nn1
InChIInChI=1S/C26H23N3O3S/c1-33(31,32)26-16-15-24(28-29-26)21-13-8-14-22(17-21)27-25(30)18-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-17,23H,18H2,1H3,(H,27,30)
InChIKeyORXXIHHBHKHACN-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.71
Rot. Bonds7

About N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide

N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide (PubChem CID 18567788) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
PubChem CID18567788
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC NameN-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
SMILESCS(=O)(=O)c1ccc(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)nn1
InChIInChI=1S/C26H23N3O3S/c1-33(31,32)26-16-15-24(28-29-26)21-13-8-14-22(17-21)27-25(30)18-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-17,23H,18H2,1H3,(H,27,30)
InChIKeyORXXIHHBHKHACN-UHFFFAOYSA-N
XLogP4.71
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,3-diphenylpropanamide
CID 43991321
3-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]propanamide
CID 16799423
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
4-acetyl-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 18569024
N-(3-iodophenyl)-3,3-diphenylpropanamide
CID 1297500
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide (CID 18567788) is N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide is CS(=O)(=O)c1ccc(-c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)nn1.
What is the InChIKey of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is ORXXIHHBHKHACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-33(31,32)26-16-15-24(28-29-26)21-13-8-14-22(17-21)27-25(30)18-23(19-9-4-2-5-10-19)20-11-6-3-7-12-20/h2-17,23H,18H2,1H3,(H,27,30).
What are the key properties of N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide?
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 457.56 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 18567788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).