N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide

C11H17BrN2OS — CID 81485162

IUPACN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-3-11(13,4-2)7-14-10(15)9-8(12)5-6-16-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyXUUNACXEGHPEMB-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.76
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide

N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide (PubChem CID 81485162) has the molecular formula C11H17BrN2OS and a molecular weight of 305.24 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
PubChem CID81485162
Molecular FormulaC11H17BrN2OS
Molecular Weight305.24 g/mol
Exact Mass304.02
IUPAC NameN-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1sccc1Br
InChIInChI=1S/C11H17BrN2OS/c1-3-11(13,4-2)7-14-10(15)9-8(12)5-6-16-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,15)
InChIKeyXUUNACXEGHPEMB-UHFFFAOYSA-N
XLogP2.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
N-(2-amino-2-ethylbutyl)-3-phenylthiophene-2-carboxamide
CID 119641993
3-bromo-N-[1-chloro-2-(chloromethyl)butan-2-yl]thiophene-2-carboxamide
CID 107867481
3-bromo-N-[(2S)-2-(dimethylamino)propyl]thiophene-2-carboxamide
CID 94156069
3-bromo-N-(2-hydroxy-2,5-dimethylhexyl)thiophene-2-carboxamide
CID 111485433
3-bromo-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031856
3-bromo-N-[2-(3-bromophenyl)-2-methylpropyl]thiophene-2-carboxamide
CID 60621665
3-bromo-N-(2,3-dimethylbutyl)thiophene-2-carboxamide
CID 64596699
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63801472
N-(2-amino-2-ethylbutyl)-3-bromo-2-methylbenzamide
CID 81483938
2-[[(3-bromothiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65218001

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide (CID 81485162) is N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide is CCC(N)(CC)CNC(=O)c1sccc1Br.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide?
The InChIKey is XUUNACXEGHPEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS/c1-3-11(13,4-2)7-14-10(15)9-8(12)5-6-16-9/h5-6H,3-4,7,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide?
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide has a molecular weight of 305.24 g/mol, XLogP of 2.76, 5 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)-3-bromothiophene-2-carboxamide is sourced from PubChem (CID 81485162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).