2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide

C24H27N5OS — CID 53109043

IUPAC2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(C)c(N2CCN(c3ccc(SCC(=O)Nc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C24H27N5OS/c1-18-8-9-19(2)21(16-18)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-17-23(30)25-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,25,30)
InChIKeyKVZFZFMBSOPGHB-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.15
Rot. Bonds6

About 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide

2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide (PubChem CID 53109043) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
PubChem CID53109043
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
SMILESCc1ccc(C)c(N2CCN(c3ccc(SCC(=O)Nc4ccccc4)nn3)CC2)c1
InChIInChI=1S/C24H27N5OS/c1-18-8-9-19(2)21(16-18)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-17-23(30)25-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,25,30)
InChIKeyKVZFZFMBSOPGHB-UHFFFAOYSA-N
XLogP4.15
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 8699462
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
N-(4-acetamidophenyl)-2-[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetamide
CID 53142213
1-[6-(2-anilino-2-oxoethyl)sulfanylpyridazin-3-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 50826029
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 53074140
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
N-(3,5-dimethylphenyl)-2-[6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826024
N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109172
N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971
1-[6-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826368
(3S)-1-[6-[2-(3-methylanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-3-carboxamide
CID 95093090

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide (CID 53109043) is 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide is Cc1ccc(C)c(N2CCN(c3ccc(SCC(=O)Nc4ccccc4)nn3)CC2)c1.
What is the InChIKey of 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide?
The InChIKey is KVZFZFMBSOPGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-18-8-9-19(2)21(16-18)28-12-14-29(15-13-28)22-10-11-24(27-26-22)31-17-23(30)25-20-6-4-3-5-7-20/h3-11,16H,12-15,17H2,1-2H3,(H,25,30).
What are the key properties of 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide?
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide has a molecular weight of 433.58 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 53109043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).