2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide

C19H19N3O2S2 — CID 41246801

IUPAC2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCOc1ccc(-c2cccs2)nn1
InChIInChI=1S/C19H19N3O2S2/c23-18(14-25-13-15-5-2-1-3-6-15)20-10-11-24-19-9-8-16(21-22-19)17-7-4-12-26-17/h1-9,12H,10-11,13-14H2,(H,20,23)
InChIKeyQMLGDOXUGJOMES-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.63
Rot. Bonds9

About 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide

2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide (PubChem CID 41246801) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
PubChem CID41246801
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC Name2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
SMILESO=C(CSCc1ccccc1)NCCOc1ccc(-c2cccs2)nn1
InChIInChI=1S/C19H19N3O2S2/c23-18(14-25-13-15-5-2-1-3-6-15)20-10-11-24-19-9-8-16(21-22-19)17-7-4-12-26-17/h1-9,12H,10-11,13-14H2,(H,20,23)
InChIKeyQMLGDOXUGJOMES-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
5-bromo-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]furan-2-carboxamide
CID 41246804
2-[3-(4-bromophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121051123
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246750
1-(6-phenylpyridazin-3-yl)-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]piperidine-4-carboxamide
CID 121072092
2-benzylsulfanyl-N-[2-[(2-benzylsulfanylacetyl)amino]ethyl]acetamide
CID 7784841
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide
CID 121050363
3-methyl-4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246812
4,5-dimethoxy-2-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246788
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
CID 41247021
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-phenoxyethyl)acetamide
CID 121049977
2-benzylsulfanyl-N-[2-(4-cyclopropyl-5-oxo-3-thiophen-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 90541725

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide (CID 41246801) is 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide is O=C(CSCc1ccccc1)NCCOc1ccc(-c2cccs2)nn1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide?
The InChIKey is QMLGDOXUGJOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c23-18(14-25-13-15-5-2-1-3-6-15)20-10-11-24-19-9-8-16(21-22-19)17-7-4-12-26-17/h1-9,12H,10-11,13-14H2,(H,20,23).
What are the key properties of 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide?
2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 3.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]acetamide is sourced from PubChem (CID 41246801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).