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

C20H26N6O3S — CID 71807528

IUPACN-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C20H26N6O3S/c1-16(27)22-17-4-6-19(7-5-17)30(28,29)26-12-10-24(11-13-26)18-14-20(23-21-15-18)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,27)
InChIKeyMDDKIPKVUCPOMV-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.55
Rot. Bonds5

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

N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 71807528) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID71807528
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC NameN-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1
InChIInChI=1S/C20H26N6O3S/c1-16(27)22-17-4-6-19(7-5-17)30(28,29)26-12-10-24(11-13-26)18-14-20(23-21-15-18)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,27)
InChIKeyMDDKIPKVUCPOMV-UHFFFAOYSA-N
XLogP1.55
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 108781295
N-[4-[[4-(4-methylsulfonylphenyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]acetamide
CID 4690747
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16645607
N-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1484987
N-[4-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 46268042
4-[5-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 91969055
4-[6-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968916
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[3-methyl-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 122334515
4-[6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968933
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide;hydrate
CID 139066606
N-[4-[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 122335096

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide (CID 71807528) is N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cnnc(N4CCCC4)c3)CC2)cc1.
What is the InChIKey of N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MDDKIPKVUCPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-16(27)22-17-4-6-19(7-5-17)30(28,29)26-12-10-24(11-13-26)18-14-20(23-21-15-18)25-8-2-3-9-25/h4-7,14-15H,2-3,8-13H2,1H3,(H,22,27).
What are the key properties of N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(6-pyrrolidin-1-ylpyridazin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 71807528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).