N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide

C24H27N3OS — CID 43936708

IUPACN-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(-c3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C24H27N3OS/c1-3-5-6-19-9-13-21(14-10-19)25-23(28)17-29-24-16-15-22(26-27-24)20-11-7-18(4-2)8-12-20/h7-16H,3-6,17H2,1-2H3,(H,25,28)
InChIKeyJZROSNBARUNJFQ-UHFFFAOYSA-N
MW405.57 g/mol
LogP5.78
Rot. Bonds9

About N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide

N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 43936708) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
PubChem CID43936708
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(-c3ccc(CC)cc3)nn2)cc1
InChIInChI=1S/C24H27N3OS/c1-3-5-6-19-9-13-21(14-10-19)25-23(28)17-29-24-16-15-22(26-27-24)20-11-7-18(4-2)8-12-20/h7-16H,3-6,17H2,1-2H3,(H,25,28)
InChIKeyJZROSNBARUNJFQ-UHFFFAOYSA-N
XLogP5.78
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
N-[3,5-bis(trifluoromethyl)phenyl]-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936710
N-(4-fluorophenyl)-2-[6-(4-fluorophenyl)pyridazin-3-yl]sulfanylacetamide
CID 7502831
N-(4-butylphenyl)-2-[[2-(4-ethylphenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl]acetamide
CID 50771910
methyl 4-[[2-[6-(4-phenylphenyl)pyridazin-3-yl]sulfanylacetyl]amino]benzoate
CID 43936617
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 172640950
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
N-(3-fluorophenyl)-2-[6-(4-methylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 8542501
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide (CID 43936708) is N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide is CCCCc1ccc(NC(=O)CSc2ccc(-c3ccc(CC)cc3)nn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is JZROSNBARUNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-3-5-6-19-9-13-21(14-10-19)25-23(28)17-29-24-16-15-22(26-27-24)20-11-7-18(4-2)8-12-20/h7-16H,3-6,17H2,1-2H3,(H,25,28).
What are the key properties of N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide?
N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 405.57 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43936708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).