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

C14H17BrN2OS — CID 79964378

IUPAC5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCCC2)sc1Br
InChIInChI=1S/C14H17BrN2OS/c1-10-8-11(19-12(10)15)13(18)17-14(9-16)6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyJBSFEJGHONYWOJ-UHFFFAOYSA-N
MW341.27 g/mol
LogP4.17
Rot. Bonds2

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

5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide (PubChem CID 79964378) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
PubChem CID79964378
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
SMILESCc1cc(C(=O)NC2(C#N)CCCCCC2)sc1Br
InChIInChI=1S/C14H17BrN2OS/c1-10-8-11(19-12(10)15)13(18)17-14(9-16)6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyJBSFEJGHONYWOJ-UHFFFAOYSA-N
XLogP4.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
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
5-bromo-4-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)thiophene-2-carboxamide
CID 79934442
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
5-bromo-N-cyclooctyl-4-methylthiophene-2-carboxamide
CID 79998727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide (CID 79964378) is 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide is Cc1cc(C(=O)NC2(C#N)CCCCCC2)sc1Br.
What is the InChIKey of 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide?
The InChIKey is JBSFEJGHONYWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-10-8-11(19-12(10)15)13(18)17-14(9-16)6-4-2-3-5-7-14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide?
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide has a molecular weight of 341.27 g/mol, XLogP of 4.17, 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-cyanocycloheptyl)-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 79964378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).