2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide

C8H8BrNO2S — CID 82121850

IUPAC2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO2S/c1-10(2)8(12)7(11)5-3-4-6(9)13-5/h3-4H,1-2H3
InChIKeyAPOBGRPJLLHJJH-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.78
Rot. Bonds2

About 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide

2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide (PubChem CID 82121850) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
PubChem CID82121850
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide
SMILESCN(C)C(=O)C(=O)c1ccc(Br)s1
InChIInChI=1S/C8H8BrNO2S/c1-10(2)8(12)7(11)5-3-4-6(9)13-5/h3-4H,1-2H3
InChIKeyAPOBGRPJLLHJJH-UHFFFAOYSA-N
XLogP1.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(dimethylamino)ethanone
CID 43794754
5-bromo-N-(4-hydroxyphenyl)-N-methylthiophene-2-carboxamide
CID 28739338
2-(5-bromothiophen-2-yl)-N-tert-butyl-2-oxoacetamide
CID 82124453
1-(5-bromothiophen-2-yl)-2-piperidin-1-ylethane-1,2-dione
CID 82124728
5-bromo-N-methyl-N-piperidin-4-ylthiophene-2-carboxamide
CID 43602032
5-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 61077053
5-bromo-N-[1-(4-hydroxyphenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 54913160
5-bromo-N-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 60636372
(1Z)-2-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]-2-oxoethanimidoyl bromide
CID 134968364
2-amino-1-(5-bromothiophen-2-yl)-3-(dimethylamino)propan-1-one
CID 83694135
5-bromo-N,N-dipropylthiophene-2-carboxamide
CID 60635948
1-(5-bromothiophen-2-yl)butane-1,3-dione
CID 42614631

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide (CID 82121850) is 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide is CN(C)C(=O)C(=O)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide?
The InChIKey is APOBGRPJLLHJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c1-10(2)8(12)7(11)5-3-4-6(9)13-5/h3-4H,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide?
2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide has a molecular weight of 262.13 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N,N-dimethyl-2-oxoacetamide is sourced from PubChem (CID 82121850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).