N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride

C12H21ClN2OS — CID 119641880

IUPACN-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccsc1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-3-12(13,4-2)9-14-11(15)7-10-5-6-16-8-10;/h5-6,8H,3-4,7,9,13H2,1-2H3,(H,14,15);1H
InChIKeyPYUGEBFMPWEVGB-UHFFFAOYSA-N
MW276.83 g/mol
LogP2.35
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride (PubChem CID 119641880) has the molecular formula C12H21ClN2OS and a molecular weight of 276.83 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
PubChem CID119641880
Molecular FormulaC12H21ClN2OS
Molecular Weight276.83 g/mol
Exact Mass276.11
IUPAC NameN-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1ccsc1.Cl
InChIInChI=1S/C12H20N2OS.ClH/c1-3-12(13,4-2)9-14-11(15)7-10-5-6-16-8-10;/h5-6,8H,3-4,7,9,13H2,1-2H3,(H,14,15);1H
InChIKeyPYUGEBFMPWEVGB-UHFFFAOYSA-N
XLogP2.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-ethylbutyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 119261247
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide;hydrochloride
CID 119642438
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119641340
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(2-amino-2-ethylbutyl)-2-(4-nitrophenyl)acetamide
CID 81484734

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride (CID 119641880) is N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride is CCC(N)(CC)CNC(=O)Cc1ccsc1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride?
The InChIKey is PYUGEBFMPWEVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS.ClH/c1-3-12(13,4-2)9-14-11(15)7-10-5-6-16-8-10;/h5-6,8H,3-4,7,9,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride has a molecular weight of 276.83 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119641880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).