2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

C13H20BrNO2S — CID 111484349

IUPAC2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(O)C(C)C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16)
InChIKeyOIQNUWFBFHUSPK-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.14
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide

2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (PubChem CID 111484349) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
PubChem CID111484349
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
SMILESCC(C(=O)NCC(C)(O)C(C)C)c1ccc(Br)s1
InChIInChI=1S/C13H20BrNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16)
InChIKeyOIQNUWFBFHUSPK-UHFFFAOYSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.14
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
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
2-(4-ethylphenyl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111483772
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
CID 119599253
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
1-[(5-bromothiophen-2-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118505
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 71870124
2-[4-[2-(5-bromothiophen-2-yl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 119254288
5-[[2-(5-bromothiophen-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226841
5-bromo-N-(2-hydroxy-2,3-dimethylbutyl)thiophene-3-carboxamide
CID 111483887

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide (CID 111484349) is 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide is CC(C(=O)NCC(C)(O)C(C)C)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
The InChIKey is OIQNUWFBFHUSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-8(2)13(4,17)7-15-12(16)9(3)10-5-6-11(14)18-10/h5-6,8-9,17H,7H2,1-4H3,(H,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide?
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide has a molecular weight of 334.28 g/mol, XLogP of 3.14, 5 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-hydroxy-2,3-dimethylbutyl)propanamide is sourced from PubChem (CID 111484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).