N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide

C9H12BrNO2S — CID 115140158

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
SMILESCN(CCc1ccc(Br)s1)C(=O)CO
InChIInChI=1S/C9H12BrNO2S/c1-11(9(13)6-12)5-4-7-2-3-8(10)14-7/h2-3,12H,4-6H2,1H3
InChIKeyPBZWRHGVALEHLB-UHFFFAOYSA-N
MW278.17 g/mol
LogP1.50
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide

N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide (PubChem CID 115140158) has the molecular formula C9H12BrNO2S and a molecular weight of 278.17 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
PubChem CID115140158
Molecular FormulaC9H12BrNO2S
Molecular Weight278.17 g/mol
Exact Mass276.98
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
SMILESCN(CCc1ccc(Br)s1)C(=O)CO
InChIInChI=1S/C9H12BrNO2S/c1-11(9(13)6-12)5-4-7-2-3-8(10)14-7/h2-3,12H,4-6H2,1H3
InChIKeyPBZWRHGVALEHLB-UHFFFAOYSA-N
XLogP1.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.17
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2-dimethylpropanamide
CID 115152784
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-N,2,2-trimethylpropanamide
CID 115154760
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxy-N-methylpropanamide
CID 115139413
N-[2-(5-bromothiophen-2-yl)ethyl]-1-cyano-N-methylcyclobutane-1-carboxamide
CID 115183388
methyl 3-[2-(5-bromothiophen-2-yl)ethyl-methylamino]-2,2-dimethylpropanoate
CID 115233714
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
N'-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylpropane-1,3-diamine
CID 115197440
methyl 4-[2-(5-bromothiophen-2-yl)ethyl-methylamino]butanoate
CID 115233515
4-amino-N-[(5-bromothiophen-2-yl)methyl]-N-methylpentanamide
CID 115156744
ethane;ethyl 2-[2-(5-bromothiophen-2-yl)ethyl-ethoxycarbonylamino]acetate
CID 143786342
4-(5-bromothiophen-2-yl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103915623
2-[(5-bromothiophen-2-yl)methyl-methylamino]-N,N-dimethylacetamide
CID 60670568

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide (CID 115140158) is N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide is CN(CCc1ccc(Br)s1)C(=O)CO.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide?
The InChIKey is PBZWRHGVALEHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO2S/c1-11(9(13)6-12)5-4-7-2-3-8(10)14-7/h2-3,12H,4-6H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide?
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide has a molecular weight of 278.17 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide is sourced from PubChem (CID 115140158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).