N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide

C13H21NO2S — CID 113331524

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)8-11-6-5-7-17-11/h5-7,15H,3-4,8-10H2,1-2H3,(H,14,16)
InChIKeyQNEJOPBIWYTYQZ-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.21
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide (PubChem CID 113331524) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
PubChem CID113331524
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1cccs1
InChIInChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)8-11-6-5-7-17-11/h5-7,15H,3-4,8-10H2,1-2H3,(H,14,16)
InChIKeyQNEJOPBIWYTYQZ-UHFFFAOYSA-N
XLogP2.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-ethyl-2-(hydroxymethyl)butyl]-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

Related Compounds

N-[2-(bromomethyl)-2-ethylbutyl]-2-thiophen-2-ylacetamide
CID 106255533
N-[2-ethyl-2-(hydroxymethyl)butyl]-4-thiophen-2-ylbutanamide
CID 103843539
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
CID 103843642
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[2-(bromomethyl)-2-ethylbutyl]-4-thiophen-2-ylbutanamide
CID 114164697
N-[2-(4-chlorophenyl)-2-methylpropyl]-2-thiophen-2-ylacetamide
CID 47317277
N-(5-bromo-2,2-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 106145359
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-pyridin-2-ylacetamide
CID 106252214

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide (CID 113331524) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide is CCC(CC)(CO)CNC(=O)Cc1cccs1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide?
The InChIKey is QNEJOPBIWYTYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)8-11-6-5-7-17-11/h5-7,15H,3-4,8-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide has a molecular weight of 255.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 113331524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).