N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide

C23H24ClN5OS — CID 53108909

IUPACN-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5OS/c24-19-8-6-18(7-9-19)16-25-22(30)17-31-23-11-10-21(26-27-23)29-14-12-28(13-15-29)20-4-2-1-3-5-20/h1-11H,12-17H2,(H,25,30)
InChIKeyAAUHGFCPKFXEEB-UHFFFAOYSA-N
MW454.00 g/mol
LogP3.87
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 53108909) has the molecular formula C23H24ClN5OS and a molecular weight of 454.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID53108909
Molecular FormulaC23H24ClN5OS
Molecular Weight454.00 g/mol
Exact Mass453.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN5OS/c24-19-8-6-18(7-9-19)16-25-22(30)17-31-23-11-10-21(26-27-23)29-14-12-28(13-15-29)20-4-2-1-3-5-20/h1-11H,12-17H2,(H,25,30)
InChIKeyAAUHGFCPKFXEEB-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53109172
2-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 53109026
N-[(4-chlorophenyl)methyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2563847
1-[6-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]-N-propylpiperidine-4-carboxamide
CID 50826131
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583
N-[(4-chlorophenyl)methyl]-1-phenylpiperidine-4-carboxamide
CID 17152448
3-[(4-chlorophenyl)methylsulfonyl]-6-(4-phenylpiperazin-1-yl)pyridazine
CID 27373691
N-(4-ethylphenyl)-2-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]sulfanylacetamide
CID 53108952
N-benzyl-2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 126104545
2-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 8543370
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-benzyl-2-[6-(3-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 50844695

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide (CID 53108909) is N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(N2CCN(c3ccccc3)CC2)nn1)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is AAUHGFCPKFXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5OS/c24-19-8-6-18(7-9-19)16-25-22(30)17-31-23-11-10-21(26-27-23)29-14-12-28(13-15-29)20-4-2-1-3-5-20/h1-11H,12-17H2,(H,25,30).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 454.00 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[6-(4-phenylpiperazin-1-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 53108909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).