5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide

C11H11BrN2OS — CID 62962185

IUPAC5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
SMILESN#CC1CCCC1NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13/h4,6-7,9H,1-3H2,(H,14,15)
InChIKeyPGMZIFBIIYHCET-UHFFFAOYSA-N
MW299.19 g/mol
LogP2.93
Rot. Bonds2

About 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide

5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide (PubChem CID 62962185) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
PubChem CID62962185
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
SMILESN#CC1CCCC1NC(=O)c1csc(Br)c1
InChIInChI=1S/C11H11BrN2OS/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13/h4,6-7,9H,1-3H2,(H,14,15)
InChIKeyPGMZIFBIIYHCET-UHFFFAOYSA-N
XLogP2.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
5-bromo-N-[2-(bromomethyl)cyclohexyl]thiophene-3-carboxamide
CID 106367206
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
CID 113339251
5-bromo-N-(2,4-dimethylcyclohexyl)thiophene-3-carboxamide
CID 63999980
N-(2-cyanocyclopentyl)-3-hydroxy-4-methylbenzamide
CID 62962345
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
5-bromo-N-(3-methylcyclohexyl)thiophene-3-carboxamide
CID 43424605
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide (CID 62962185) is 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide is N#CC1CCCC1NC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide?
The InChIKey is PGMZIFBIIYHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-10-4-8(6-16-10)11(15)14-9-3-1-2-7(9)5-13/h4,6-7,9H,1-3H2,(H,14,15).
What are the key properties of 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide?
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide is sourced from PubChem (CID 62962185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).