N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide

C13H18BrNOS — CID 106366310

IUPACN-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C13H18BrNOS/c1-2-9-6-7-17-12(9)13(16)15-11-5-3-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)
InChIKeyBJKDSRWPIJMPFB-UHFFFAOYSA-N
MW316.26 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide

N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide (PubChem CID 106366310) has the molecular formula C13H18BrNOS and a molecular weight of 316.26 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
PubChem CID106366310
Molecular FormulaC13H18BrNOS
Molecular Weight316.26 g/mol
Exact Mass315.03
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NC1CCCC1CBr
InChIInChI=1S/C13H18BrNOS/c1-2-9-6-7-17-12(9)13(16)15-11-5-3-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16)
InChIKeyBJKDSRWPIJMPFB-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminocyclopentyl)-3-ethylthiophene-2-carboxamide
CID 63251494
N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
cis-(1R,2S)-2-[(3-ethylthiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 97031564
3-ethyl-N-(2-methylpiperidin-3-yl)thiophene-2-carboxamide;hydrochloride
CID 120575332
N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
CID 106366535
3-chloro-N-[2-(hydroxymethyl)cyclopentyl]thiophene-2-carboxamide
CID 106364449
N-[2-(chloromethyl)cyclohexyl]-3-methylthiophene-2-carboxamide
CID 106366771
N-[2-(bromomethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 106366410
N-[2-(bromomethyl)cyclohexyl]-4-methylbenzamide
CID 114179665
N-[2-(bromomethyl)cyclohexyl]-4-(dimethylamino)benzamide
CID 106367084
N-[2-(bromomethyl)cyclopentyl]-4-methylthiophene-3-carboxamide
CID 106366208
3-chloro-N-[2-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 106366820

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide (CID 106366310) is N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide?
The InChIKey is BJKDSRWPIJMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNOS/c1-2-9-6-7-17-12(9)13(16)15-11-5-3-4-10(11)8-14/h6-7,10-11H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide?
N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide has a molecular weight of 316.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclopentyl]-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 106366310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).