5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide

C13H15ClN2OS — CID 55024708

IUPAC5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)s2)CCCCCC1
InChIInChI=1S/C13H15ClN2OS/c14-11-6-5-10(18-11)12(17)16-13(9-15)7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,16,17)
InChIKeyARQVFUPUPSBVIZ-UHFFFAOYSA-N
MW282.80 g/mol
LogP3.75
Rot. Bonds2

About 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide

5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide (PubChem CID 55024708) has the molecular formula C13H15ClN2OS and a molecular weight of 282.80 g/mol. Its IUPAC name is 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
PubChem CID55024708
Molecular FormulaC13H15ClN2OS
Molecular Weight282.80 g/mol
Exact Mass282.06
IUPAC Name5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)s2)CCCCCC1
InChIInChI=1S/C13H15ClN2OS/c14-11-6-5-10(18-11)12(17)16-13(9-15)7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,16,17)
InChIKeyARQVFUPUPSBVIZ-UHFFFAOYSA-N
XLogP3.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
CID 54940554
5-chloro-N-[1-(N'-hydroxycarbamimidoyl)cycloheptyl]thiophene-2-carboxamide
CID 76938327
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
1-[(5-chlorothiophene-2-carbonyl)amino]cyclopropane-1-carboxylic acid
CID 65450610
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
CID 56791272

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide (CID 55024708) is 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide is N#CC1(NC(=O)c2ccc(Cl)s2)CCCCCC1.
What is the InChIKey of 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide?
The InChIKey is ARQVFUPUPSBVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2OS/c14-11-6-5-10(18-11)12(17)16-13(9-15)7-3-1-2-4-8-13/h5-6H,1-4,7-8H2,(H,16,17).
What are the key properties of 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide?
5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide has a molecular weight of 282.80 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide is sourced from PubChem (CID 55024708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).