N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide

C11H14BrNOS — CID 80678217

IUPACN-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCBr)C1CC1
InChIInChI=1S/C11H14BrNOS/c12-5-6-13(9-3-4-9)11(14)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2
InChIKeyQAGRURQAQDYYII-UHFFFAOYSA-N
MW288.21 g/mol
LogP2.68
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide

N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide (PubChem CID 80678217) has the molecular formula C11H14BrNOS and a molecular weight of 288.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
PubChem CID80678217
Molecular FormulaC11H14BrNOS
Molecular Weight288.21 g/mol
Exact Mass287.00
IUPAC NameN-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)N(CCBr)C1CC1
InChIInChI=1S/C11H14BrNOS/c12-5-6-13(9-3-4-9)11(14)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2
InChIKeyQAGRURQAQDYYII-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 52.68
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-cyclopropyl-N-(3-methylbutyl)-2-thiophen-2-ylacetamide
CID 86924480
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-[(4-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 43460540
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
CID 80658598
N-(2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-yl)-N-propyl-2-thiophen-2-ylacetamide
CID 19838443
N-cyclopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 134004488
N-cyano-N-methyl-2-thiophen-2-ylacetamide
CID 131201372
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(2-hydroxycyclohexyl)-N-methyl-2-thiophen-2-ylacetamide
CID 56920252

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide (CID 80678217) is N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)N(CCBr)C1CC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide?
The InChIKey is QAGRURQAQDYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNOS/c12-5-6-13(9-3-4-9)11(14)8-10-2-1-7-15-10/h1-2,7,9H,3-6,8H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide?
N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide has a molecular weight of 288.21 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 80678217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).