5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide

C12H15Br2NOS — CID 80659510

IUPAC5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCBr)C1CCCC1
InChIInChI=1S/C12H15Br2NOS/c13-7-8-15(9-3-1-2-4-9)12(16)10-5-6-11(14)17-10/h5-6,9H,1-4,7-8H2
InChIKeyWGOYRDLHBUDBNW-UHFFFAOYSA-N
MW381.13 g/mol
LogP4.29
Rot. Bonds4

About 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide

5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide (PubChem CID 80659510) has the molecular formula C12H15Br2NOS and a molecular weight of 381.13 g/mol. Its IUPAC name is 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
PubChem CID80659510
Molecular FormulaC12H15Br2NOS
Molecular Weight381.13 g/mol
Exact Mass378.92
IUPAC Name5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCBr)C1CCCC1
InChIInChI=1S/C12H15Br2NOS/c13-7-8-15(9-3-1-2-4-9)12(16)10-5-6-11(14)17-10/h5-6,9H,1-4,7-8H2
InChIKeyWGOYRDLHBUDBNW-UHFFFAOYSA-N
XLogP4.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.13
LogP ≤ 54.29
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

5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
N-(2-amino-2-hydroxyiminoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide
CID 77038217
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
N-(azetidin-3-yl)-5-bromo-N-propylthiophene-2-carboxamide
CID 66182885
5-bromo-N-cyclopropyl-N-(piperidin-2-ylmethyl)thiophene-2-carboxamide
CID 106626893
5-chloro-N-(2-chloroethyl)-N-cyclohexylthiophene-2-carboxamide
CID 55185888
N-(2-bromoethyl)-N-cyclobutyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 102872984
N-(2-bromoethyl)-N-cyclopentyl-2-hydroxybenzamide
CID 80659305
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798
N-(2-bromoethyl)-N-cyclopentyl-2-methylbenzamide
CID 80658813
N-(2-bromoethyl)-2,6-dichloro-N-cyclopentylbenzamide
CID 80658796

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide (CID 80659510) is 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(CCBr)C1CCCC1.
What is the InChIKey of 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide?
The InChIKey is WGOYRDLHBUDBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NOS/c13-7-8-15(9-3-1-2-4-9)12(16)10-5-6-11(14)17-10/h5-6,9H,1-4,7-8H2.
What are the key properties of 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide?
5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide has a molecular weight of 381.13 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-bromoethyl)-N-cyclopentylthiophene-2-carboxamide is sourced from PubChem (CID 80659510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).