dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

C34H57ClN4O2S8 — CID 159080462

IUPACdodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1ccncc1.Nc1ccncc1.S=S=S=S=S=S=S=S
InChIInChI=1S/C17H28N2O.C12H23ClO.C5H6N2.S8/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-16-12-14-18-15-13-16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-5-1-3-7-4-2-5;1-3-5-7-8-6-4-2/h12-15H,2-11H2,1H3,(H,18,19,20);2-11H2,1H3;1-4H,(H2,6,7);
InChIKeyKAUFIKZZPUQIRW-UHFFFAOYSA-N
MW845.84 g/mol
LogP10.26
Rot. Bonds21

About dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane

dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (PubChem CID 159080462) has the molecular formula C34H57ClN4O2S8 and a molecular weight of 845.84 g/mol. Its IUPAC name is dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.

Molecular Properties

Compound Namedodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
PubChem CID159080462
Molecular FormulaC34H57ClN4O2S8
Molecular Weight845.84 g/mol
Exact Mass844.19
IUPAC Namedodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1ccncc1.Nc1ccncc1.S=S=S=S=S=S=S=S
InChIInChI=1S/C17H28N2O.C12H23ClO.C5H6N2.S8/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-16-12-14-18-15-13-16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-5-1-3-7-4-2-5;1-3-5-7-8-6-4-2/h12-15H,2-11H2,1H3,(H,18,19,20);2-11H2,1H3;1-4H,(H2,6,7);
InChIKeyKAUFIKZZPUQIRW-UHFFFAOYSA-N
XLogP10.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.84
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane with MolForge

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Related Compounds

N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[2-[4-(dodecanoylamino)phenyl]ethynyl]phenyl]dodecanamide
CID 102416980
N-(2-chloro-4-pyridinyl)heptanamide
CID 15790514
N-(4-aminophenyl)-4-pentylsulfanylbutanamide
CID 107748509
N-[4-[2-[3,5-bis[2-[4-(decanoylamino)phenyl]ethynyl]phenyl]ethynyl]phenyl]decanamide
CID 132538113
formamide;N-phenylheptanamide
CID 143464966
molecular hydrogen;N-[4-(pyridin-4-ylmethylamino)phenyl]octanamide
CID 154663589
[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
N-(4-chlorophenyl)tridecanamide
CID 4195215
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(4-aminophenyl)pentacosa-10,12-diynamide
CID 132583016
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The IUPAC name of dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane (CID 159080462) is dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane.
What is the SMILES notation for dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The canonical SMILES for dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is CCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1ccncc1.Nc1ccncc1.S=S=S=S=S=S=S=S.
What is the InChIKey of dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
The InChIKey is KAUFIKZZPUQIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O.C12H23ClO.C5H6N2.S8/c1-2-3-4-5-6-7-8-9-10-11-17(20)19-16-12-14-18-15-13-16;1-2-3-4-5-6-7-8-9-10-11-12(13)14;6-5-1-3-7-4-2-5;1-3-5-7-8-6-4-2/h12-15H,2-11H2,1H3,(H,18,19,20);2-11H2,1H3;1-4H,(H2,6,7);.
What are the key properties of dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane?
dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane has a molecular weight of 845.84 g/mol, XLogP of 10.26, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dodecanoyl chloride;pyridin-4-amine;N-pyridin-4-yldodecanamide;sulfanylidene-[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane is sourced from PubChem (CID 159080462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).