5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide

C11H11BrN2OS — CID 55029231

IUPAC5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Br)s2)CCCC1
InChIInChI=1S/C11H11BrN2OS/c12-9-4-3-8(16-9)10(15)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,15)
InChIKeyPAVGQRWEGAEKEG-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.08
Rot. Bonds2

About 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide

5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide (PubChem CID 55029231) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
PubChem CID55029231
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Br)s2)CCCC1
InChIInChI=1S/C11H11BrN2OS/c12-9-4-3-8(16-9)10(15)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,15)
InChIKeyPAVGQRWEGAEKEG-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
CID 56791272
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341656
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
CID 79846619
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 9258881

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide (CID 55029231) is 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide is N#CC1(NC(=O)c2ccc(Br)s2)CCCC1.
What is the InChIKey of 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide?
The InChIKey is PAVGQRWEGAEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c12-9-4-3-8(16-9)10(15)14-11(7-13)5-1-2-6-11/h3-4H,1-2,5-6H2,(H,14,15).
What are the key properties of 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide?
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide has a molecular weight of 299.19 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide is sourced from PubChem (CID 55029231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).