5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide

C12H13BrN2OS — CID 79964549

IUPAC5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCC2)sc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8-6-9(17-10(8)13)11(16)15-12(7-14)4-2-3-5-12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyKVXGDOHMRLNOOJ-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.39
Rot. Bonds2

About 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide

5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide (PubChem CID 79964549) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
PubChem CID79964549
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCC2)sc1Br
InChIInChI=1S/C12H13BrN2OS/c1-8-6-9(17-10(8)13)11(16)15-12(7-14)4-2-3-5-12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyKVXGDOHMRLNOOJ-UHFFFAOYSA-N
XLogP3.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 79934442
5-bromo-N-(1-cyanocyclohexyl)-4-methylthiophene-2-sulfonamide
CID 79987800
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
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
CID 54904547
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 82759782
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide (CID 79964549) is 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2(C#N)CCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide?
The InChIKey is KVXGDOHMRLNOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-8-6-9(17-10(8)13)11(16)15-12(7-14)4-2-3-5-12/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide has a molecular weight of 313.22 g/mol, XLogP of 3.39, 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)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79964549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).