2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

C19H25BrN4OS — CID 110037949

IUPAC2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCCc1cccs1)c1ccccc1Br
InChIInChI=1S/C19H25BrN4OS/c1-14(16-8-4-5-9-17(16)20)23-19(22-13-18(25)24(2)3)21-11-10-15-7-6-12-26-15/h4-9,12,14H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyFKVMMOGPCYXMLI-UHFFFAOYSA-N
MW437.41 g/mol
LogP3.44
Rot. Bonds7

About 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110037949) has the molecular formula C19H25BrN4OS and a molecular weight of 437.41 g/mol. Its IUPAC name is 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110037949
Molecular FormulaC19H25BrN4OS
Molecular Weight437.41 g/mol
Exact Mass436.09
IUPAC Name2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCC(N/C(=N/CC(=O)N(C)C)NCCc1cccs1)c1ccccc1Br
InChIInChI=1S/C19H25BrN4OS/c1-14(16-8-4-5-9-17(16)20)23-19(22-13-18(25)24(2)3)21-11-10-15-7-6-12-26-15/h4-9,12,14H,10-11,13H2,1-3H3,(H2,21,22,23)
InChIKeyFKVMMOGPCYXMLI-UHFFFAOYSA-N
XLogP3.44
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.41
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[bis(2-thiophen-2-ylethylamino)methylideneamino]-N,N-dimethylacetamide
CID 111861665
2-[[[1-(3,4-diethoxyphenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110037752
2-[[[1-(2-bromophenyl)ethylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111322167
2-[[[5-(diethylamino)pentan-2-ylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111860159
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-[[[2-(2-methoxyphenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111861496
2-[[[1-(2-bromophenyl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110037941
2-[[(4-ethoxybutylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111863155
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-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
2-[[(3-butoxypropylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111861023

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110037949) is 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is CC(N/C(=N/CC(=O)N(C)C)NCCc1cccs1)c1ccccc1Br.
What is the InChIKey of 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is FKVMMOGPCYXMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN4OS/c1-14(16-8-4-5-9-17(16)20)23-19(22-13-18(25)24(2)3)21-11-10-15-7-6-12-26-15/h4-9,12,14H,10-11,13H2,1-3H3,(H2,21,22,23).
What are the key properties of 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 437.41 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2-bromophenyl)ethylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110037949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).