2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide

C12H18BrNO2S — CID 111485902

IUPAC2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-3-12(16,4-2)8-14-11(15)7-9-5-6-10(13)17-9/h5-6,16H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyJEAMFSVWUUQMBJ-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.72
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide

2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (PubChem CID 111485902) has the molecular formula C12H18BrNO2S and a molecular weight of 320.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
PubChem CID111485902
Molecular FormulaC12H18BrNO2S
Molecular Weight320.25 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
SMILESCCC(O)(CC)CNC(=O)Cc1ccc(Br)s1
InChIInChI=1S/C12H18BrNO2S/c1-3-12(16,4-2)8-14-11(15)7-9-5-6-10(13)17-9/h5-6,16H,3-4,7-8H2,1-2H3,(H,14,15)
InChIKeyJEAMFSVWUUQMBJ-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
N-[3-(aminomethyl)pentan-3-yl]-2-(5-bromothiophen-2-yl)acetamide;hydrochloride
CID 119572064
2-(5-bromothiophen-2-yl)-N-(3-methoxypropyl)acetamide
CID 110767727
2-(5-bromothiophen-2-yl)-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447118
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
N-(2-amino-2-methylpropyl)-2-(5-methylthiophen-2-yl)acetamide
CID 119626700
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-2-sulfonamide
CID 65110898
5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
2-[(5-bromothiophen-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957963
1-(5-bromothiophen-2-yl)-3-(diethylamino)-3-methylpentan-2-one
CID 79063919
ethyl 3-[(5-bromothiophen-2-yl)methylamino]-3-oxopropanoate
CID 115138552

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide (CID 111485902) is 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide is CCC(O)(CC)CNC(=O)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
The InChIKey is JEAMFSVWUUQMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO2S/c1-3-12(16,4-2)8-14-11(15)7-9-5-6-10(13)17-9/h5-6,16H,3-4,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide?
2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide has a molecular weight of 320.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide is sourced from PubChem (CID 111485902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).