N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide

C16H22N4OS — CID 727674

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1
InChIInChI=1S/C16H22N4OS/c1-2-19-6-8-20(9-7-19)11-15(21)18-16-13(10-17)12-4-3-5-14(12)22-16/h2-9,11H2,1H3,(H,18,21)
InChIKeyZQANQZLXKMYHOU-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.68
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide (PubChem CID 727674) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
PubChem CID727674
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1
InChIInChI=1S/C16H22N4OS/c1-2-19-6-8-20(9-7-19)11-15(21)18-16-13(10-17)12-4-3-5-14(12)22-16/h2-9,11H2,1H3,(H,18,21)
InChIKeyZQANQZLXKMYHOU-UHFFFAOYSA-N
XLogP1.68
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide 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-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)acetamide
CID 676715
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-piperidin-1-ylacetamide
CID 705148
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 730298
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-(4-methyl-1-piperazinyl)acetamide
CID 2976035
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 2998024
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pivalamide
CID 4016005
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 8031105
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-piperidin-1-ylacetamide
CID 701963
ethyl 3-cyano-2-{[2-(diethylamino)acetyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate
CID 2816595
N-(3-cyano-4,5-dimethyl-2-thienyl)-2-morpholinoacetamide
CID 2816626
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propanamide
CID 3154707
methyl 1-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 2569947

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide (CID 727674) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
The InChIKey is ZQANQZLXKMYHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-19-6-8-20(9-7-19)11-15(21)18-16-13(10-17)12-4-3-5-14(12)22-16/h2-9,11H2,1H3,(H,18,21).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide has a molecular weight of 318.45 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-ethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 727674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).