2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide

C15H26N2OS — CID 54938162

IUPAC2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)9-16-11(3)13-8-10(2)19-12(13)4/h8,11,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyJPMUBYIYKOQGKD-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.32
Rot. Bonds6

About 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide

2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide (PubChem CID 54938162) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
PubChem CID54938162
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide
SMILESCCC(C)(C)NC(=O)CNC(C)c1cc(C)sc1C
InChIInChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)9-16-11(3)13-8-10(2)19-12(13)4/h8,11,16H,7,9H2,1-6H3,(H,17,18)
InChIKeyJPMUBYIYKOQGKD-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The IUPAC name of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide (CID 54938162) is 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide is CCC(C)(C)NC(=O)CNC(C)c1cc(C)sc1C.
What is the InChIKey of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
The InChIKey is JPMUBYIYKOQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-7-15(5,6)17-14(18)9-16-11(3)13-8-10(2)19-12(13)4/h8,11,16H,7,9H2,1-6H3,(H,17,18).
What are the key properties of 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide?
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide has a molecular weight of 282.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylbutan-2-yl)acetamide is sourced from PubChem (CID 54938162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).