N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide

C23H25N3O4S — CID 83273435

IUPACN-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C23H25N3O4S/c1-4-25(19-8-6-5-7-9-19)23(28)16-26-22(27)15-14-21(24-26)31(29,30)20-12-10-18(11-13-20)17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyKIUXWMCEFZGISO-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.25
Rot. Bonds7

About N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide

N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide (PubChem CID 83273435) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide
PubChem CID83273435
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC NameN-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide
SMILESCCN(C(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O)c1ccccc1
InChIInChI=1S/C23H25N3O4S/c1-4-25(19-8-6-5-7-9-19)23(28)16-26-22(27)15-14-21(24-26)31(29,30)20-12-10-18(11-13-20)17(2)3/h5-15,17H,4,16H2,1-3H3
InChIKeyKIUXWMCEFZGISO-UHFFFAOYSA-N
XLogP3.25
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Phenyl-6-[1-(4-propylbenzenesulfonyl)piperidin-4-YL]-2,3-dihydropyridazin-3-one
CID 6625657
2-(4,6-dimethyl-2-oxo-3-(phenylsulfonyl)pyridin-1(2H)-yl)-N-(3-ethylphenyl)acetamide
CID 30844918
N-(3,5-dimethylphenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849539
6-((3-fluorophenyl)sulfonyl)-2-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 49668572
2-(2-(4-(2-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-tosylpyridazin-3(2H)-one
CID 52905746
N-(3,4-Difluorophenyl)-2-[4,6-dimethyl-3-(4-methylbenzenesulfonyl)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53002945
4-Anilino-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 21934030
2-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-4-piperidin-1-ylpyridazin-3-one
CID 21934085
2-(4-Fluorophenyl)-5-(4-methylsulfonylphenyl)-4-pyrrolidin-1-ylpyridazin-3-one
CID 21934127
4-(2,4-Difluoroanilino)-5-(4-methylsulfonylphenyl)-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 9912713
N-(2-ethylphenyl)-2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)acetamide
CID 49668547
2-(3-((3-fluorophenyl)sulfonyl)-6-oxopyridazin-1(6H)-yl)-N-(p-tolyl)acetamide
CID 49668554

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide?
The IUPAC name of N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide (CID 83273435) is N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide?
The canonical SMILES for N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide is CCN(C(=O)Cn1nc(S(=O)(=O)c2ccc(C(C)C)cc2)ccc1=O)c1ccccc1.
What is the InChIKey of N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide?
The InChIKey is KIUXWMCEFZGISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-25(19-8-6-5-7-9-19)23(28)16-26-22(27)15-14-21(24-26)31(29,30)20-12-10-18(11-13-20)17(2)3/h5-15,17H,4,16H2,1-3H3.
What are the key properties of N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide?
N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide has a molecular weight of 439.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-oxo-3-(4-propan-2-ylphenyl)sulfonylpyridazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 83273435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).