2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide

C11H16BrNO2S — CID 71995127

IUPAC2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)C(C)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-8(9-4-5-10(12)16-9)11(14)13(2)6-7-15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyGLTDUQWGWJHRFY-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.72
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide

2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide (PubChem CID 71995127) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide
PubChem CID71995127
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide
SMILESCOCCN(C)C(=O)C(C)c1ccc(Br)s1
InChIInChI=1S/C11H16BrNO2S/c1-8(9-4-5-10(12)16-9)11(14)13(2)6-7-15-3/h4-5,8H,6-7H2,1-3H3
InChIKeyGLTDUQWGWJHRFY-UHFFFAOYSA-N
XLogP2.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide (CID 71995127) is 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide is COCCN(C)C(=O)C(C)c1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide?
The InChIKey is GLTDUQWGWJHRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8(9-4-5-10(12)16-9)11(14)13(2)6-7-15-3/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide?
2-(5-bromothiophen-2-yl)-N-(2-methoxyethyl)-N-methylpropanamide has a molecular weight of 306.23 g/mol, XLogP of 2.72, 5 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-(2-methoxyethyl)-N-methylpropanamide is sourced from PubChem (CID 71995127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).