N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide

C13H15NO2S2 — CID 71782348

IUPACN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-13(16,11-5-3-7-18-11)9-14-12(15)8-10-4-2-6-17-10/h2-7,16H,8-9H2,1H3,(H,14,15)
InChIKeyKMYBSPNCMSZDDW-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.38
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide

N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide (PubChem CID 71782348) has the molecular formula C13H15NO2S2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide
PubChem CID71782348
Molecular FormulaC13H15NO2S2
Molecular Weight281.40 g/mol
Exact Mass281.05
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide
SMILESCC(O)(CNC(=O)Cc1cccs1)c1cccs1
InChIInChI=1S/C13H15NO2S2/c1-13(16,11-5-3-7-18-11)9-14-12(15)8-10-4-2-6-17-10/h2-7,16H,8-9H2,1H3,(H,14,15)
InChIKeyKMYBSPNCMSZDDW-UHFFFAOYSA-N
XLogP2.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide 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-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide (CID 71782348) is N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide is CC(O)(CNC(=O)Cc1cccs1)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide?
The InChIKey is KMYBSPNCMSZDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2S2/c1-13(16,11-5-3-7-18-11)9-14-12(15)8-10-4-2-6-17-10/h2-7,16H,8-9H2,1H3,(H,14,15).
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide?
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide has a molecular weight of 281.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylpropyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 71782348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).