N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide

C11H17NO2S — CID 115968855

IUPACN-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)(CCO)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-11(2,4-5-13)12-10(14)7-9-3-6-15-8-9/h3,6,8,13H,4-5,7H2,1-2H3,(H,12,14)
InChIKeyCVXDXCYHQZUWND-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds5

About N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide

N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 115968855) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID115968855
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(C)(CCO)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-11(2,4-5-13)12-10(14)7-9-3-6-15-8-9/h3,6,8,13H,4-5,7H2,1-2H3,(H,12,14)
InChIKeyCVXDXCYHQZUWND-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115884675
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(5-hydroxy-2,2-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 103899658
N-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
2-(4-acetamidophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115869949
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
CID 61118996
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
2-[4-(difluoromethoxy)phenyl]-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115870205
1-(4-hydroxy-2,2-dimethylbutyl)-3-(thiophen-3-ylmethyl)urea
CID 111504565

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide (CID 115968855) is N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide is CC(C)(CCO)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is CVXDXCYHQZUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,4-5-13)12-10(14)7-9-3-6-15-8-9/h3,6,8,13H,4-5,7H2,1-2H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 115968855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).