N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride

C13H22Cl2N2OS — CID 119640650

IUPACN-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)c1ccc(Cl)s1.Cl
InChIInChI=1S/C13H21ClN2OS.ClH/c1-4-13(15,5-2)8-16-12(17)9(3)10-6-7-11(14)18-10;/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17);1H
InChIKeyDSXVGOIFBDFGGT-UHFFFAOYSA-N
MW325.31 g/mol
LogP3.56
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride

N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119640650) has the molecular formula C13H22Cl2N2OS and a molecular weight of 325.31 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
PubChem CID119640650
Molecular FormulaC13H22Cl2N2OS
Molecular Weight325.31 g/mol
Exact Mass324.08
IUPAC NameN-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)C(C)c1ccc(Cl)s1.Cl
InChIInChI=1S/C13H21ClN2OS.ClH/c1-4-13(15,5-2)8-16-12(17)9(3)10-6-7-11(14)18-10;/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17);1H
InChIKeyDSXVGOIFBDFGGT-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111825737
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119405790
N-(2-amino-2-ethylbutyl)-2-thiophen-2-ylpropanamide
CID 119641253
2-[2-(5-chlorothiophen-2-yl)propanoylamino]-2-methylbutanoic acid
CID 120518542
N-(2-amino-2-ethylbutyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119643405
2-(5-chlorothiophen-2-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 111830053
methyl (2S)-2-[[(2S)-2-(5-chlorothiophen-2-yl)propanoyl]amino]butanoate
CID 97008635
2-(5-chlorothiophen-2-yl)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119510927
2-(5-chlorothiophen-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
CID 120947097
N-(1-aminohexan-2-yl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119665756
5-[[2-(5-chlorothiophen-2-yl)propanoylamino]methyl]oxolane-2-carboxamide
CID 71851839
N-(2-amino-1-cyclopropylethyl)-2-(5-chlorothiophen-2-yl)propanamide
CID 119613918

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride (CID 119640650) is N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride is CCC(N)(CC)CNC(=O)C(C)c1ccc(Cl)s1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is DSXVGOIFBDFGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS.ClH/c1-4-13(15,5-2)8-16-12(17)9(3)10-6-7-11(14)18-10;/h6-7,9H,4-5,8,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-2-(5-chlorothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 325.31 g/mol, XLogP of 3.56, 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-(5-chlorothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119640650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).