N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide

C11H14BrNO2S — CID 81122470

IUPACN-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H14BrNO2S/c1-15-9-5-6-16-10(9)11(14)13-8-4-2-3-7(8)12/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyKCGQQCDKPMOVTJ-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.80
Rot. Bonds3

About N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide

N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide (PubChem CID 81122470) has the molecular formula C11H14BrNO2S and a molecular weight of 304.21 g/mol. Its IUPAC name is N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
PubChem CID81122470
Molecular FormulaC11H14BrNO2S
Molecular Weight304.21 g/mol
Exact Mass302.99
IUPAC NameN-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCC1Br
InChIInChI=1S/C11H14BrNO2S/c1-15-9-5-6-16-10(9)11(14)13-8-4-2-3-7(8)12/h5-8H,2-4H2,1H3,(H,13,14)
InChIKeyKCGQQCDKPMOVTJ-UHFFFAOYSA-N
XLogP2.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(bromomethyl)cyclopentyl]-3-methoxythiophene-2-carboxamide
CID 106366441
N-(2-bromocyclopentyl)-3,5-dimethoxybenzamide
CID 80661734
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
CID 124848819
N-(2-bromocyclopentyl)-3-methoxybenzamide
CID 80662437
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-bromocyclopentyl)-3-methoxy-4-nitrobenzamide
CID 104783556
3-methoxy-N-[[(2R)-thiolan-2-yl]methyl]thiophene-2-carboxamide
CID 97064441
N-(2-bromocyclohexyl)-2-hydroxy-5-methoxybenzamide
CID 114312002
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
N-[(2-chlorocyclohexyl)methyl]-3-methoxythiophene-2-carboxamide
CID 113272650

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide (CID 81122470) is N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC1CCCC1Br.
What is the InChIKey of N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is KCGQQCDKPMOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2S/c1-15-9-5-6-16-10(9)11(14)13-8-4-2-3-7(8)12/h5-8H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide?
N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 304.21 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclopentyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81122470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).