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

C25H29N5O2S — CID 53109092

IUPACN-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)CC1
InChIInChI=1S/C25H29N5O2S/c1-18-8-9-20(19(2)16-18)26-24(31)17-33-25-11-10-23(27-28-25)30-14-12-29(13-15-30)21-6-4-5-7-22(21)32-3/h4-11,16H,12-15,17H2,1-3H3,(H,26,31)
InChIKeyPBEVJOZHZGBOMY-UHFFFAOYSA-N
MW463.61 g/mol
LogP4.16
Rot. Bonds7

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

N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 53109092) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
PubChem CID53109092
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC NameN-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
SMILESCOc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)CC1
InChIInChI=1S/C25H29N5O2S/c1-18-8-9-20(19(2)16-18)26-24(31)17-33-25-11-10-23(27-28-25)30-14-12-29(13-15-30)21-6-4-5-7-22(21)32-3/h4-11,16H,12-15,17H2,1-3H3,(H,26,31)
InChIKeyPBEVJOZHZGBOMY-UHFFFAOYSA-N
XLogP4.16
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(4-methoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109106
2-[6-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-phenylacetamide
CID 53109043
2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
CID 40701025
N-(2-ethoxyphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 53136737
2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]sulfanyl-N-(2,5-dimethylphenyl)acetamide
CID 53074140
N-(2,4-dimethylphenyl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 40693481
N-(2,4-dimethylphenyl)-2-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3167179
N-(2,4-dimethoxyphenyl)-2-[6-(2,4-dimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8699469
N-[(2S)-butan-2-yl]-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]sulfanylacetamide
CID 95093420
N-(2-methoxy-5-methylphenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936641
N-(2-methylphenyl)-2-[6-[4-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 50826032

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide (CID 53109092) is N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccccc1N1CCN(c2ccc(SCC(=O)Nc3ccc(C)cc3C)nn2)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
The InChIKey is PBEVJOZHZGBOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-18-8-9-20(19(2)16-18)26-24(31)17-33-25-11-10-23(27-28-25)30-14-12-29(13-15-30)21-6-4-5-7-22(21)32-3/h4-11,16H,12-15,17H2,1-3H3,(H,26,31).
What are the key properties of N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 463.61 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53109092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).