N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide

C21H28N6O3S — CID 122334515

IUPACN-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(C)c1
InChIInChI=1S/C21H28N6O3S/c1-16-15-18(22-17(2)28)5-6-19(16)31(29,30)27-13-11-26(12-14-27)21-8-7-20(23-24-21)25-9-3-4-10-25/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,28)
InChIKeyMWGBNSQLXRZFED-UHFFFAOYSA-N
MW444.56 g/mol
LogP1.85
Rot. Bonds5

About N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide

N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 122334515) has the molecular formula C21H28N6O3S and a molecular weight of 444.56 g/mol. Its IUPAC name is N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID122334515
Molecular FormulaC21H28N6O3S
Molecular Weight444.56 g/mol
Exact Mass444.19
IUPAC NameN-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(C)c1
InChIInChI=1S/C21H28N6O3S/c1-16-15-18(22-17(2)28)5-6-19(16)31(29,30)27-13-11-26(12-14-27)21-8-7-20(23-24-21)25-9-3-4-10-25/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,28)
InChIKeyMWGBNSQLXRZFED-UHFFFAOYSA-N
XLogP1.85
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 122335096
N-[3-methyl-4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122333189
N-[3-methyl-4-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122351544
N-[3-methyl-4-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 122347279
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
1-[6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane
CID 26843188
3-piperidin-1-yl-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazine
CID 7287711
N-[3-methyl-4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122337887
3-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrolidin-1-ylpyridazine
CID 122334482
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 71807528
4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-pyrrolidin-1-ylpyrimidine
CID 20896377

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 122334515) is N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCC4)nn3)CC2)c(C)c1.
What is the InChIKey of N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MWGBNSQLXRZFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3S/c1-16-15-18(22-17(2)28)5-6-19(16)31(29,30)27-13-11-26(12-14-27)21-8-7-20(23-24-21)25-9-3-4-10-25/h5-8,15H,3-4,9-14H2,1-2H3,(H,22,28).
What are the key properties of N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 444.56 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 122334515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).