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

C20H21N3O2S — CID 7688106

IUPACN-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-26-20-12-11-17(22-23-20)18-6-4-13-25-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24)
InChIKeyKPZCCYYFCULNEB-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.81
Rot. Bonds8

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

N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7688106) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7688106
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESCCCCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1
InChIInChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-26-20-12-11-17(22-23-20)18-6-4-13-25-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24)
InChIKeyKPZCCYYFCULNEB-UHFFFAOYSA-N
XLogP4.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-butylphenyl)-2-[6-(4-ethylphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936708
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
N-(2-chlorophenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688107
N-(4-ethylphenyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 8541081
2-[6-(furan-2-yl)pyridazin-3-yl]sulfanyl-N-(2-nitrophenyl)acetamide
CID 7688111
2-(2-aminophenyl)sulfanyl-N-(4-butylphenyl)acetamide
CID 3604206
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450
2-[4-[4-[2-(4-butylanilino)-2-oxoethyl]sulfanylphenyl]sulfanylphenyl]sulfanyl-N-(4-butylphenyl)acetamide
CID 3490839
N-(4-butylphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 7575397
2-[2-(4-butylanilino)-2-oxoethyl]sulfanylacetamide
CID 2228588
N-(furan-2-yl)-2-[6-(4-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936655
N-(furan-2-yl)-2-[6-(3-methoxyphenyl)pyridazin-3-yl]sulfanylacetamide
CID 43936677

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7688106) is N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is CCCCc1ccc(NC(=O)CSc2ccc(-c3ccco3)nn2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is KPZCCYYFCULNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-3-5-15-7-9-16(10-8-15)21-19(24)14-26-20-12-11-17(22-23-20)18-6-4-13-25-18/h4,6-13H,2-3,5,14H2,1H3,(H,21,24).
What are the key properties of N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 367.47 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7688106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).