N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

C23H22Cl2N4OS — CID 43936785

IUPACN-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(N3CCCCC3)cc2)nn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N4OS/c24-19-9-6-17(14-20(19)25)26-22(30)15-31-23-11-10-21(27-28-23)16-4-7-18(8-5-16)29-12-2-1-3-13-29/h4-11,14H,1-3,12-13,15H2,(H,26,30)
InChIKeyGZYBINDTDRDITQ-UHFFFAOYSA-N
MW473.43 g/mol
LogP6.17
Rot. Bonds6

About N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43936785) has the molecular formula C23H22Cl2N4OS and a molecular weight of 473.43 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43936785
Molecular FormulaC23H22Cl2N4OS
Molecular Weight473.43 g/mol
Exact Mass472.09
IUPAC NameN-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccc(N3CCCCC3)cc2)nn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H22Cl2N4OS/c24-19-9-6-17(14-20(19)25)26-22(30)15-31-23-11-10-21(27-28-23)16-4-7-18(8-5-16)29-12-2-1-3-13-29/h4-11,14H,1-3,12-13,15H2,(H,26,30)
InChIKeyGZYBINDTDRDITQ-UHFFFAOYSA-N
XLogP6.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.43
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 43936741
N-(3,4-dichlorophenyl)-2-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936797
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
2-[6-(4-chlorophenyl)pyridazin-3-yl]sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 41376788
N-[6-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]propanamide
CID 42139255
N-(3-chloro-4-fluorophenyl)-2-(6-naphthalen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 43936813
N-(3,4-difluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7206206
N-(3,5-dichlorophenyl)-2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936695
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 3911025
N-(3,4-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
CID 18562791
N-(4-chlorophenyl)-2-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502633
2-[(6,8-dichloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)sulfanyl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 30789951

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43936785) is N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccc(N3CCCCC3)cc2)nn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is GZYBINDTDRDITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4OS/c24-19-9-6-17(14-20(19)25)26-22(30)15-31-23-11-10-21(27-28-23)16-4-7-18(8-5-16)29-12-2-1-3-13-29/h4-11,14H,1-3,12-13,15H2,(H,26,30).
What are the key properties of N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 473.43 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[6-(4-piperidin-1-ylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43936785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).