N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide

C13H22N2OS — CID 119641253

IUPACN-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
SMILESCCC(N)(CC)CNC(=O)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-13(14,5-2)9-15-12(16)10(3)11-7-6-8-17-11/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeyAOIOWWWXPSNVCR-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.49
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide

N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide (PubChem CID 119641253) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
PubChem CID119641253
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
SMILESCCC(N)(CC)CNC(=O)C(C)c1cccs1
InChIInChI=1S/C13H22N2OS/c1-4-13(14,5-2)9-15-12(16)10(3)11-7-6-8-17-11/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16)
InChIKeyAOIOWWWXPSNVCR-UHFFFAOYSA-N
XLogP2.49
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
CID 119640650
tert-butyl N-[2-methyl-1-[[(2R)-2-thiophen-2-ylpropanoyl]amino]propan-2-yl]carbamate
CID 95933406
N-(2-hydroxy-2-thiophen-3-ylpropyl)-2-thiophen-2-ylpropanamide
CID 111451994
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119643405
N-(2-amino-2-ethylbutyl)-2-methyl-2-thiophen-2-ylpropanamide
CID 119642853
methyl 2-thiophen-2-ylpropanoate
CID 12819459
(2S)-N-[2-(phenylsulfamoyl)ethyl]-2-thiophen-2-ylpropanamide
CID 97215141
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 113279319
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-thiophen-2-ylpropanamide
CID 120948169
N-(2-amino-2-ethylbutyl)-2-benzylsulfanylpropanamide;hydrochloride
CID 119640354

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide (CID 119641253) is N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide is CCC(N)(CC)CNC(=O)C(C)c1cccs1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide?
The InChIKey is AOIOWWWXPSNVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-13(14,5-2)9-15-12(16)10(3)11-7-6-8-17-11/h6-8,10H,4-5,9,14H2,1-3H3,(H,15,16).
What are the key properties of N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide?
N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide has a molecular weight of 254.40 g/mol, XLogP of 2.49, 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-2-ylpropanamide is sourced from PubChem (CID 119641253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).