N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide

C15H22BrNOS — CID 80659406

IUPACN-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H22BrNOS/c16-10-11-17(13-5-1-2-6-13)15(18)9-3-7-14-8-4-12-19-14/h4,8,12-13H,1-3,5-7,9-11H2
InChIKeyPWJZKMMOXVJFGI-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.24
Rot. Bonds7

About N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide

N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide (PubChem CID 80659406) has the molecular formula C15H22BrNOS and a molecular weight of 344.32 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
PubChem CID80659406
Molecular FormulaC15H22BrNOS
Molecular Weight344.32 g/mol
Exact Mass343.06
IUPAC NameN-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)N(CCBr)C1CCCC1
InChIInChI=1S/C15H22BrNOS/c16-10-11-17(13-5-1-2-6-13)15(18)9-3-7-14-8-4-12-19-14/h4,8,12-13H,1-3,5-7,9-11H2
InChIKeyPWJZKMMOXVJFGI-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.24
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-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
CID 157468797
N-(2-bromoethyl)-N-cyclopropyl-2-thiophen-2-ylacetamide
CID 80678217
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993
1-cyclopentyl-5-thiophen-2-ylpentan-2-one
CID 105092183
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-(oxan-4-yl)-2-thiophen-2-yl-N-(2-thiophen-2-ylethyl)acetamide
CID 90611026
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
1-[2-(bromomethyl)azepan-1-yl]-4-thiophen-2-ylbutan-1-one
CID 116639623
N-(2-bromoethyl)-N-cyclohexyloctanamide
CID 80658420

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide (CID 80659406) is N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)N(CCBr)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide?
The InChIKey is PWJZKMMOXVJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNOS/c16-10-11-17(13-5-1-2-6-13)15(18)9-3-7-14-8-4-12-19-14/h4,8,12-13H,1-3,5-7,9-11H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide?
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide has a molecular weight of 344.32 g/mol, XLogP of 4.24, 7 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-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 80659406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).