N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide

C12H16BrNOS — CID 80662719

IUPACN-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2CCCC2Br)s1
InChIInChI=1S/C12H16BrNOS/c1-2-8-6-7-11(16-8)12(15)14-10-5-3-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyNBZVCPCDSNSQHW-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.36
Rot. Bonds3

About N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide

N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide (PubChem CID 80662719) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
PubChem CID80662719
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2CCCC2Br)s1
InChIInChI=1S/C12H16BrNOS/c1-2-8-6-7-11(16-8)12(15)14-10-5-3-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15)
InChIKeyNBZVCPCDSNSQHW-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.36
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-(chloromethyl)cyclohexyl]-5-ethylthiophene-2-carboxamide
CID 106366958
N-[(3-bromocyclopentyl)methyl]-5-ethylthiophene-2-carboxamide
CID 106128603
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-5-ethylthiophene-2-carboxamide
CID 114312817
N-(2-amino-1-cyclopentylethyl)-5-ethylthiophene-2-carboxamide
CID 106737412
N-(2-bromocyclohexyl)-5-ethyl-N-methylthiophene-2-carboxamide
CID 102638346
2-[(5-ethylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759881
N-(2-cyclopropyl-2-hydroxyethyl)-5-ethylthiophene-2-carboxamide
CID 63298785
N-[(1R,2R)-2-bromocyclopentyl]benzamide
CID 135010678
N-(2-bromocyclohexyl)thiadiazole-5-carboxamide
CID 114312053
5-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 65119545
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
5-chloro-N-[(1S,2R)-2-ethylsulfanylcyclopentyl]thiophene-2-carboxamide
CID 95788483

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide (CID 80662719) is N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC2CCCC2Br)s1.
What is the InChIKey of N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is NBZVCPCDSNSQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-2-8-6-7-11(16-8)12(15)14-10-5-3-4-9(10)13/h6-7,9-10H,2-5H2,1H3,(H,14,15).
What are the key properties of N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide?
N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 80662719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).