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

C24H27N5O3S — CID 53109106

IUPACN-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4OC)CC3)nn2)cc1
InChIInChI=1S/C24H27N5O3S/c1-31-19-9-7-18(8-10-19)25-23(30)17-33-24-12-11-22(26-27-24)29-15-13-28(14-16-29)20-5-3-4-6-21(20)32-2/h3-12H,13-17H2,1-2H3,(H,25,30)
InChIKeyCGXTYCGYXRWXLG-UHFFFAOYSA-N
MW465.58 g/mol
LogP3.55
Rot. Bonds8

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

N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53109106) has the molecular formula C24H27N5O3S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53109106
Molecular FormulaC24H27N5O3S
Molecular Weight465.58 g/mol
Exact Mass465.18
IUPAC NameN-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4OC)CC3)nn2)cc1
InChIInChI=1S/C24H27N5O3S/c1-31-19-9-7-18(8-10-19)25-23(30)17-33-24-12-11-22(26-27-24)29-15-13-28(14-16-29)20-5-3-4-6-21(20)32-2/h3-12H,13-17H2,1-2H3,(H,25,30)
InChIKeyCGXTYCGYXRWXLG-UHFFFAOYSA-N
XLogP3.55
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,3-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53002971
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109092
N-(4-methoxyphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826054
N-(3,5-dimethoxyphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108933
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043
methyl 4-[[2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 50843738
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(4-ethoxyphenyl)acetamide
CID 53074112
N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108952
1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-propan-2-ylurea
CID 113043694
N-(3,4-dimethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108943
N-(2-ethoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136737
N-[(2S)-butan-2-yl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093420

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53109106) is N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccc(NC(=O)CSc2ccc(N3CCN(c4ccccc4OC)CC3)nn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is CGXTYCGYXRWXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3S/c1-31-19-9-7-18(8-10-19)25-23(30)17-33-24-12-11-22(26-27-24)29-15-13-28(14-16-29)20-5-3-4-6-21(20)32-2/h3-12H,13-17H2,1-2H3,(H,25,30).
What are the key properties of N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 465.58 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53109106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).