N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide

C11H16BrNOS — CID 80660414

IUPACN-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide
SMILESCCCN(CCBr)C(=O)Cc1ccsc1
InChIInChI=1S/C11H16BrNOS/c1-2-5-13(6-4-12)11(14)8-10-3-7-15-9-10/h3,7,9H,2,4-6,8H2,1H3
InChIKeyLQNGFNHESHNJOJ-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.92
Rot. Bonds6

About N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide

N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide (PubChem CID 80660414) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide
PubChem CID80660414
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide
SMILESCCCN(CCBr)C(=O)Cc1ccsc1
InChIInChI=1S/C11H16BrNOS/c1-2-5-13(6-4-12)11(14)8-10-3-7-15-9-10/h3,7,9H,2,4-6,8H2,1H3
InChIKeyLQNGFNHESHNJOJ-UHFFFAOYSA-N
XLogP2.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
N-(2-aminoethyl)-N-(2-phenylethyl)-2-thiophen-3-ylacetamide
CID 120885888
N-benzyl-N-(2-hydroxyethyl)-2-thiophen-3-ylacetamide
CID 60653994
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-2-thiophen-3-ylacetamide
CID 54987583
N-(2-bromoethyl)-4-phenyl-N-propylbutanamide
CID 80660803
N-(2-bromoethyl)-3-chloro-N-propylthiophene-2-carboxamide
CID 80666056
N-butyl-N-(pyrrolidin-2-ylmethyl)-2-thiophen-3-ylacetamide
CID 106612363
2-[[methyl(thiophen-3-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61197925

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide (CID 80660414) is N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide is CCCN(CCBr)C(=O)Cc1ccsc1.
What is the InChIKey of N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide?
The InChIKey is LQNGFNHESHNJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-2-5-13(6-4-12)11(14)8-10-3-7-15-9-10/h3,7,9H,2,4-6,8H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide?
N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide has a molecular weight of 290.23 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 80660414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).