2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide

C18H32N4O2S — CID 110035849

IUPAC2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCSCCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccco1
InChIInChI=1S/C18H32N4O2S/c1-22(2)17(23)15-21-18(19-11-6-4-5-7-14-25-3)20-12-10-16-9-8-13-24-16/h8-9,13H,4-7,10-12,14-15H2,1-3H3,(H2,19,20,21)
InChIKeyYBBZRLHQNBSVQR-UHFFFAOYSA-N
MW368.55 g/mol
LogP2.37
Rot. Bonds12

About 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110035849) has the molecular formula C18H32N4O2S and a molecular weight of 368.55 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110035849
Molecular FormulaC18H32N4O2S
Molecular Weight368.55 g/mol
Exact Mass368.22
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCSCCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccco1
InChIInChI=1S/C18H32N4O2S/c1-22(2)17(23)15-21-18(19-11-6-4-5-7-14-25-3)20-12-10-16-9-8-13-24-16/h8-9,13H,4-7,10-12,14-15H2,1-3H3,(H2,19,20,21)
InChIKeyYBBZRLHQNBSVQR-UHFFFAOYSA-N
XLogP2.37
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[butylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111354969
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111842330
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
2-[[[2-(furan-2-yl)ethylamino]-(2-prop-2-enylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907532
2-[[[2-(2-chlorophenyl)ethylamino]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111907536
2-[[(2-ethylhexylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111354972
2-[[[2-(furan-2-yl)ethylamino]-[3-(1,3,5-trimethylpyrazol-4-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110051721
2-[[(furan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491226
2-[[[2-(furan-2-yl)ethylamino]-[2-(2-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111907417
2-[[(cyclopent-3-en-1-ylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110059657

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110035849) is 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide is CSCCCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccco1.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is YBBZRLHQNBSVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2S/c1-22(2)17(23)15-21-18(19-11-6-4-5-7-14-25-3)20-12-10-16-9-8-13-24-16/h8-9,13H,4-7,10-12,14-15H2,1-3H3,(H2,19,20,21).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 368.55 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-(6-methylsulfanylhexylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110035849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).