bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide

C44H65ClN4O2S13 — CID 161051819

IUPACbis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1cc(C)nc2ccccc12.Cc1cc(N)c2ccccc2n1.S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C22H32N2O.C12H23ClO.C10H10N2.S13/c1-3-4-5-6-7-8-9-10-11-16-22(25)24-21-17-18(2)23-20-15-13-12-14-19(20)21;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7-6-9(11)8-4-2-3-5-10(8)12-7;1-3-5-7-9-11-13-12-10-8-6-4-2/h12-15,17H,3-11,16H2,1-2H3,(H,23,24,25);2-11H2,1H3;2-6H,1H3,(H2,11,12);
InChIKeyUCFUCQYQMXESKV-UHFFFAOYSA-N
MW1134.35 g/mol
LogP13.17
Rot. Bonds21

About bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide (PubChem CID 161051819) has the molecular formula C44H65ClN4O2S13 and a molecular weight of 1134.35 g/mol. Its IUPAC name is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide.

Molecular Properties

Compound Namebis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide
PubChem CID161051819
Molecular FormulaC44H65ClN4O2S13
Molecular Weight1134.35 g/mol
Exact Mass1132.12
IUPAC Namebis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1cc(C)nc2ccccc12.Cc1cc(N)c2ccccc2n1.S=S=S=S=S=S=S=S=S=S=S=S=S
InChIInChI=1S/C22H32N2O.C12H23ClO.C10H10N2.S13/c1-3-4-5-6-7-8-9-10-11-16-22(25)24-21-17-18(2)23-20-15-13-12-14-19(20)21;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7-6-9(11)8-4-2-3-5-10(8)12-7;1-3-5-7-9-11-13-12-10-8-6-4-2/h12-15,17H,3-11,16H2,1-2H3,(H,23,24,25);2-11H2,1H3;2-6H,1H3,(H2,11,12);
InChIKeyUCFUCQYQMXESKV-UHFFFAOYSA-N
XLogP13.17
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.35
LogP ≤ 513.17
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 bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide with MolForge

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Related Compounds

6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
CID 143593067
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
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
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
N-(2-methylquinolin-4-yl)-5-(propan-2-ylsulfonylamino)pentanamide
CID 20629143
1-butyl-3-(2-methylquinolin-4-yl)urea
CID 115571496
1-(4-aminoquinolin-2-yl)nonan-1-one
CID 116603523
N-[4-[(2-methylquinolin-4-yl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 75526048
N-(2-aminophenyl)octadecanamide
CID 68839220
N-naphthalen-1-yldodecanamide
CID 588517
1-(2-methylquinolin-4-yl)heptan-1-one
CID 54325185
2-methylquinolin-4-amine
CID 162035180

Frequently Asked Questions

What is the IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide?
The IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide (CID 161051819) is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide.
What is the SMILES notation for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide?
The canonical SMILES for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide is CCCCCCCCCCCC(=O)Cl.CCCCCCCCCCCC(=O)Nc1cc(C)nc2ccccc12.Cc1cc(N)c2ccccc2n1.S=S=S=S=S=S=S=S=S=S=S=S=S.
What is the InChIKey of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide?
The InChIKey is UCFUCQYQMXESKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O.C12H23ClO.C10H10N2.S13/c1-3-4-5-6-7-8-9-10-11-16-22(25)24-21-17-18(2)23-20-15-13-12-14-19(20)21;1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-7-6-9(11)8-4-2-3-5-10(8)12-7;1-3-5-7-9-11-13-12-10-8-6-4-2/h12-15,17H,3-11,16H2,1-2H3,(H,23,24,25);2-11H2,1H3;2-6H,1H3,(H2,11,12);.
What are the key properties of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide?
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide has a molecular weight of 1134.35 g/mol, XLogP of 13.17, 21 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide is sourced from PubChem (CID 161051819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).