N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

C24H27N5OS — CID 53109172

IUPACN-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(N2CCN(c3ccc(SCC(=O)NCc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C24H27N5OS/c1-19-6-5-9-21(16-19)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-18-23(30)25-17-20-7-3-2-4-8-20/h2-11,16H,12-15,17-18H2,1H3,(H,25,30)
InChIKeyCSDVPMODJPZMEX-UHFFFAOYSA-N
MW433.58 g/mol
LogP3.52
Rot. Bonds7

About N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide

N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53109172) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53109172
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC NameN-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCc1cccc(N2CCN(c3ccc(SCC(=O)NCc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C24H27N5OS/c1-19-6-5-9-21(16-19)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-18-23(30)25-17-20-7-3-2-4-8-20/h2-11,16H,12-15,17-18H2,1H3,(H,25,30)
InChIKeyCSDVPMODJPZMEX-UHFFFAOYSA-N
XLogP3.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
CID 53108909
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]propanamide
CID 113043638
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-benzyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109255251
N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 50844695
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]butanamide
CID 113043643
2-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 53109026
N-benzyl-2-[[5-(1H-indol-3-yl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 135710413
N-benzyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
CID 23611311
N-benzyl-2-[[3-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
CID 7118156

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53109172) is N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is Cc1cccc(N2CCN(c3ccc(SCC(=O)NCc4ccccc4)nn3)CC2)c1.
What is the InChIKey of N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is CSDVPMODJPZMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-19-6-5-9-21(16-19)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-18-23(30)25-17-20-7-3-2-4-8-20/h2-11,16H,12-15,17-18H2,1H3,(H,25,30).
What are the key properties of N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 433.58 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53109172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).