N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide

C19H24N4O5S — CID 90639440

IUPACN-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(OC)nn3)C2)c(C)c1
InChIInChI=1S/C19H24N4O5S/c1-4-17(24)20-14-5-6-16(13(2)11-14)29(25,26)23-10-9-15(12-23)28-19-8-7-18(27-3)21-22-19/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24)
InChIKeyZFFCEBHLHGEWIO-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.98
Rot. Bonds7

About N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide

N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide (PubChem CID 90639440) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
PubChem CID90639440
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(OC)nn3)C2)c(C)c1
InChIInChI=1S/C19H24N4O5S/c1-4-17(24)20-14-5-6-16(13(2)11-14)29(25,26)23-10-9-15(12-23)28-19-8-7-18(27-3)21-22-19/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24)
InChIKeyZFFCEBHLHGEWIO-UHFFFAOYSA-N
XLogP1.98
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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N-[4-[3-(2,5-dioxoimidazolidin-1-yl)pyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide
CID 121160161
N-[3-methyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]acetamide
CID 122261147
N-[4-[3-(3-cyanopyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90636815
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90639359
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329
N-[3-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methylsulfamoyl]phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The IUPAC name of N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide (CID 90639440) is N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide.
What is the SMILES notation for N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The canonical SMILES for N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(Oc3ccc(OC)nn3)C2)c(C)c1.
What is the InChIKey of N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
The InChIKey is ZFFCEBHLHGEWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-4-17(24)20-14-5-6-16(13(2)11-14)29(25,26)23-10-9-15(12-23)28-19-8-7-18(27-3)21-22-19/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,24).
What are the key properties of N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide?
N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide has a molecular weight of 420.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]propanamide is sourced from PubChem (CID 90639440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).