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

C17H16N2O2S — CID 924827

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-2-5-12(8-11)21-10-16(20)19-17-14(9-18)13-6-3-7-15(13)22-17/h2,4-5,8H,3,6-7,10H2,1H3,(H,19,20)
InChIKeyUIVLQHRJGMAQBT-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.43
Rot. Bonds4

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

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide (PubChem CID 924827) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide
PubChem CID924827
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1
InChIInChI=1S/C17H16N2O2S/c1-11-4-2-5-12(8-11)21-10-16(20)19-17-14(9-18)13-6-3-7-15(13)22-17/h2,4-5,8H,3,6-7,10H2,1H3,(H,19,20)
InChIKeyUIVLQHRJGMAQBT-UHFFFAOYSA-N
XLogP3.43
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide (CID 924827) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide?
The InChIKey is UIVLQHRJGMAQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-11-4-2-5-12(8-11)21-10-16(20)19-17-14(9-18)13-6-3-7-15(13)22-17/h2,4-5,8H,3,6-7,10H2,1H3,(H,19,20).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methylphenoxy)acetamide has a molecular weight of 312.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 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-(3-methylphenoxy)acetamide is sourced from PubChem (CID 924827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).