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

C13H18BrNOS — CID 80658598

IUPACN-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCBr)C1CCCC1
InChIInChI=1S/C13H18BrNOS/c14-6-7-15(12-3-1-2-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyMLXDBHUXDZROMK-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.46
Rot. Bonds5

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

N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide (PubChem CID 80658598) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
PubChem CID80658598
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)N(CCBr)C1CCCC1
InChIInChI=1S/C13H18BrNOS/c14-6-7-15(12-3-1-2-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2
InChIKeyMLXDBHUXDZROMK-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.46
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-(3-chloropropyl)-N-cyclobutyl-2-thiophen-3-ylacetamide
CID 102871977
N-(2-bromoethyl)-N-cyclohexyl-2-phenylacetamide
CID 80658910
N-(2-bromoethyl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 80659780
N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-(2-bromoethyl)-N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 80652853
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(2-bromoethyl)-N-propyl-2-thiophen-3-ylacetamide
CID 80660414
N-(2-bromoethyl)-N-cyclopropyl-2-(3-hydroxyphenyl)acetamide
CID 80678119
N-(2-bromoethyl)-N-cyclohexyl-2-(2-fluorophenyl)acetamide
CID 80659219
N-(2-bromoethyl)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 80659112
N-[(2-aminophenyl)methyl]-N-cyclopropyl-2-thiophen-3-ylacetamide
CID 43460875

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide (CID 80658598) is N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide?
The InChIKey is MLXDBHUXDZROMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c14-6-7-15(12-3-1-2-4-12)13(16)9-11-5-8-17-10-11/h5,8,10,12H,1-4,6-7,9H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide?
N-(2-bromoethyl)-N-cyclopentyl-2-thiophen-3-ylacetamide has a molecular weight of 316.26 g/mol, XLogP of 3.46, 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-cyclopentyl-2-thiophen-3-ylacetamide is sourced from PubChem (CID 80658598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).