2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide

C14H16Cl2N2OS — CID 107961621

IUPAC2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2OS/c1-2-9-3-5-14(8-17,6-4-9)18-13(19)10-7-11(15)20-12(10)16/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyOZSVGOXWZPIXHJ-UHFFFAOYSA-N
MW331.27 g/mol
LogP4.65
Rot. Bonds3

About 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide

2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide (PubChem CID 107961621) has the molecular formula C14H16Cl2N2OS and a molecular weight of 331.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
PubChem CID107961621
Molecular FormulaC14H16Cl2N2OS
Molecular Weight331.27 g/mol
Exact Mass330.04
IUPAC Name2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide
SMILESCCC1CCC(C#N)(NC(=O)c2cc(Cl)sc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2OS/c1-2-9-3-5-14(8-17,6-4-9)18-13(19)10-7-11(15)20-12(10)16/h7,9H,2-6H2,1H3,(H,18,19)
InChIKeyOZSVGOXWZPIXHJ-UHFFFAOYSA-N
XLogP4.65
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-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-carbamothioyl-4-ethylcyclohexyl)-2,5-dichlorothiophene-3-carboxamide
CID 107961704
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
5-bromo-N-(1-cyano-4-ethylcyclohexyl)pyridine-3-carboxamide
CID 61120747
3-bromo-N-(1-cyano-4-ethylcyclohexyl)-5-fluorobenzamide
CID 61120820
N-(1-cyano-4-ethylcyclohexyl)-4-ethylthiadiazole-5-carboxamide
CID 65205115
N-(1-cyano-4-ethylcyclohexyl)-3-methoxypropanamide
CID 62589490
N-(1-cyano-4-ethylcyclohexyl)cyclooctanecarboxamide
CID 65018223
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
2-bromo-4-chloro-N-(1-cyano-4-methylcyclohexyl)benzamide
CID 107987700
2-[1-[(2,5-dichlorothiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 103790771

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide (CID 107961621) is 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide is CCC1CCC(C#N)(NC(=O)c2cc(Cl)sc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide?
The InChIKey is OZSVGOXWZPIXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2OS/c1-2-9-3-5-14(8-17,6-4-9)18-13(19)10-7-11(15)20-12(10)16/h7,9H,2-6H2,1H3,(H,18,19).
What are the key properties of 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide?
2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide has a molecular weight of 331.27 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-cyano-4-ethylcyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 107961621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).