2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide

C17H24N4OS2 — CID 111861665

IUPAC2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN=C(NCCc1cccs1)NCCc1cccs1
InChIInChI=1S/C17H24N4OS2/c1-21(2)16(22)13-20-17(18-9-7-14-5-3-11-23-14)19-10-8-15-6-4-12-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,18,19,20)
InChIKeyIKMQDOSASBJIBY-UHFFFAOYSA-N
MW364.54 g/mol
LogP2.22
Rot. Bonds8

About 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide

2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide (PubChem CID 111861665) has the molecular formula C17H24N4OS2 and a molecular weight of 364.54 g/mol. Its IUPAC name is 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
PubChem CID111861665
Molecular FormulaC17H24N4OS2
Molecular Weight364.54 g/mol
Exact Mass364.14
IUPAC Name2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN=C(NCCc1cccs1)NCCc1cccs1
InChIInChI=1S/C17H24N4OS2/c1-21(2)16(22)13-20-17(18-9-7-14-5-3-11-23-14)19-10-8-15-6-4-12-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,18,19,20)
InChIKeyIKMQDOSASBJIBY-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methoxyethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491566
2-[[butylamino-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111350043
2-[[(4-ethoxybutylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863155
2-[[[2-(2-methoxyphenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111861496
2-[[(cyclohexylmethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111860532
2-[[(3-butoxypropylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111861023
N,N-dimethyl-2-[[[2-(4-methylphenoxy)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111861381
N,N-dimethyl-2-[[[(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111860202
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide
CID 111351068
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111651221
2-[[[2-(4-chlorophenyl)ethylamino]-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111197090
2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037949

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide (CID 111861665) is 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide is CN(C)C(=O)CN=C(NCCc1cccs1)NCCc1cccs1.
What is the InChIKey of 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide?
The InChIKey is IKMQDOSASBJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS2/c1-21(2)16(22)13-20-17(18-9-7-14-5-3-11-23-14)19-10-8-15-6-4-12-24-15/h3-6,11-12H,7-10,13H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide?
2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide has a molecular weight of 364.54 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide is sourced from PubChem (CID 111861665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).