5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide

C11H16BrNO2S — CID 111483887

IUPAC5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)11(3,15)6-13-10(14)8-4-9(12)16-5-8/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyUZJKVINQPISSOS-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.65
Rot. Bonds4

About 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide

5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide (PubChem CID 111483887) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
PubChem CID111483887
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1csc(Br)c1
InChIInChI=1S/C11H16BrNO2S/c1-7(2)11(3,15)6-13-10(14)8-4-9(12)16-5-8/h4-5,7,15H,6H2,1-3H3,(H,13,14)
InChIKeyUZJKVINQPISSOS-UHFFFAOYSA-N
XLogP2.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-ethyl-2-hydroxybutyl)thiophene-3-carboxamide
CID 65111095
5-bromo-N-(2,3,3-trimethylbutyl)thiophene-3-carboxamide
CID 78965929
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
4-[(5-bromothiophene-3-carbonyl)amino]-2-methylbutanoic acid
CID 80538251
5-bromo-N-(3-bromobutyl)thiophene-3-carboxamide
CID 107966140
5-bromo-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]thiophene-3-carboxamide
CID 111481159
5-bromo-N-(3-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 115884352
5-bromo-N-[2-(2-hydroxypropylamino)ethyl]thiophene-3-carboxamide
CID 107963728
N-(3-amino-3-hydroxyimino-2-methylpropyl)-5-bromothiophene-3-carboxamide
CID 107965180
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
(2S)-3-[(5-bromothiophene-3-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833350

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide (CID 111483887) is 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide is CC(C)C(C)(O)CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide?
The InChIKey is UZJKVINQPISSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-7(2)11(3,15)6-13-10(14)8-4-9(12)16-5-8/h4-5,7,15H,6H2,1-3H3,(H,13,14).
What are the key properties of 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide?
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide has a molecular weight of 306.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide is sourced from PubChem (CID 111483887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).