N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide

C25H28N4O4S — CID 23611770

IUPACN-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-19-7-10-21(11-8-19)26-24(30)17-29-25(31)13-12-22(27-29)20-9-6-18(2)23(16-20)34(32,33)28-14-4-5-15-28/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,26,30)
InChIKeyZOAJAMSTWHTTML-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.20
Rot. Bonds7

About N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide

N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 23611770) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID23611770
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC NameN-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O4S/c1-3-19-7-10-21(11-8-19)26-24(30)17-29-25(31)13-12-22(27-29)20-9-6-18(2)23(16-20)34(32,33)28-14-4-5-15-28/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,26,30)
InChIKeyZOAJAMSTWHTTML-UHFFFAOYSA-N
XLogP3.20
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 23611786
N-(3-methylphenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 23611722
N-(4-chlorophenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663387
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
N-(4-acetylphenyl)-2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7663125
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7663294
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 8698992
(2R)-N-(4-fluorophenyl)-2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 92735719
2-[3-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]-N-phenylpropanamide
CID 50745234
N-[5-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6-oxopyridazin-3-yl]-2-methylphenyl]propanamide
CID 27518001
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide (CID 23611770) is N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2nc(-c3ccc(C)c(S(=O)(=O)N4CCCC4)c3)ccc2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is ZOAJAMSTWHTTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-3-19-7-10-21(11-8-19)26-24(30)17-29-25(31)13-12-22(27-29)20-9-6-18(2)23(16-20)34(32,33)28-14-4-5-15-28/h6-13,16H,3-5,14-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 480.59 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[3-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 23611770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).