N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide

C15H20N2OS — CID 54904547

IUPACN-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H20N2OS/c1-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-2-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyCQESNOCEEGMZLY-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.79
Rot. Bonds2

About N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide

N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide (PubChem CID 54904547) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
PubChem CID54904547
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)NC1(C#N)CCCCCCC1
InChIInChI=1S/C15H20N2OS/c1-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-2-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18)
InChIKeyCQESNOCEEGMZLY-UHFFFAOYSA-N
XLogP3.79
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-cyanocycloheptyl)-3-ethylthiophene-2-carboxamide
CID 78969874
1-[(3-methylthiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341633
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-(1-cyanocycloheptyl)-2,6-difluoro-3-methylbenzamide
CID 82797779
5-bromo-N-(1-cyanocycloheptyl)-4-methylthiophene-2-carboxamide
CID 79964378
N-(1-cyanocycloheptyl)-4-fluoro-2-methylbenzamide
CID 115746057
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
N-(1-cyanocyclopentyl)-3-methylpyridine-2-carboxamide
CID 55059760
5-bromo-N-(1-cyanocyclopentyl)-4-methylthiophene-2-carboxamide
CID 79964549

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide (CID 54904547) is N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)NC1(C#N)CCCCCCC1.
What is the InChIKey of N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CQESNOCEEGMZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-12-7-10-19-13(12)14(18)17-15(11-16)8-5-3-2-4-6-9-15/h7,10H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide?
N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclooctyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 54904547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).