N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide

C13H21NO2S — CID 113331516

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)7-11-5-6-17-8-11/h5-6,8,15H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyXMIICUGINYRPTA-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.21
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide (PubChem CID 113331516) 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-3-ylacetamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
PubChem CID113331516
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1ccsc1
InChIInChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)7-11-5-6-17-8-11/h5-6,8,15H,3-4,7,9-10H2,1-2H3,(H,14,16)
InChIKeyXMIICUGINYRPTA-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

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(2-amino-2-ethylbutyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119641880
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-3-carboxamide
CID 103843618
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-2-ylacetamide
CID 113331524
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
CID 103843830
N-[2-ethyl-2-(hydroxymethyl)butyl]thiophene-2-carboxamide
CID 103843642

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide (CID 113331516) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide is CCC(CC)(CO)CNC(=O)Cc1ccsc1.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide?
The InChIKey is XMIICUGINYRPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-3-13(4-2,10-15)9-14-12(16)7-11-5-6-17-8-11/h5-6,8,15H,3-4,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-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-3-ylacetamide is sourced from PubChem (CID 113331516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).