N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide

C14H18N2OS — CID 54940554

IUPACN-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C14H18N2OS/c1-2-11-6-7-12(18-11)13(17)16-14(10-15)8-4-3-5-9-14/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyMNKDKNAGZOLBCF-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.27
Rot. Bonds3

About N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide

N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide (PubChem CID 54940554) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
PubChem CID54940554
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC NameN-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NC2(C#N)CCCCC2)s1
InChIInChI=1S/C14H18N2OS/c1-2-11-6-7-12(18-11)13(17)16-14(10-15)8-4-3-5-9-14/h6-7H,2-5,8-9H2,1H3,(H,16,17)
InChIKeyMNKDKNAGZOLBCF-UHFFFAOYSA-N
XLogP3.27
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-cyanocycloheptyl)thiophene-2-carboxamide
CID 55024708
5-chloro-N-(1-cyanocyclohexyl)thiophene-2-carboxamide
CID 55021425
5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
N-(1-cyanocycloheptyl)-5-ethylfuran-2-carboxamide
CID 112731234
N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
CID 78969874
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
N-(1-cyanocycloheptyl)furan-3-carboxamide
CID 54904387
5-bromo-N-(4-cyanooxan-4-yl)thiophene-2-carboxamide
CID 56791272
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549
N-(1-cyanocyclopentyl)-2-methylfuran-3-carboxamide
CID 60704628
N-(1-cyano-4-methylcyclohexyl)-5-methylthiophene-2-carboxamide
CID 61120141
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide (CID 54940554) is N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)NC2(C#N)CCCCC2)s1.
What is the InChIKey of N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide?
The InChIKey is MNKDKNAGZOLBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-11-6-7-12(18-11)13(17)16-14(10-15)8-4-3-5-9-14/h6-7H,2-5,8-9H2,1H3,(H,16,17).
What are the key properties of N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide?
N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 54940554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).