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

C11H17NO2S — CID 115884675

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(O)C(C)(C)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(13)11(2,3)12-10(14)6-9-4-5-15-7-9/h4-5,7-8,13H,6H2,1-3H3,(H,12,14)
InChIKeyZJPMSZKVEMYYBF-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.57
Rot. Bonds4

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

N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide (PubChem CID 115884675) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
PubChem CID115884675
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
SMILESCC(O)C(C)(C)NC(=O)Cc1ccsc1
InChIInChI=1S/C11H17NO2S/c1-8(13)11(2,3)12-10(14)6-9-4-5-15-7-9/h4-5,7-8,13H,6H2,1-3H3,(H,12,14)
InChIKeyZJPMSZKVEMYYBF-UHFFFAOYSA-N
XLogP1.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-(1-amino-2,3-dimethylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 81486253
N-(4-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide
CID 115968855
2-(4-chlorophenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884674
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2-thiophen-3-ylacetamide
CID 103891021
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
CID 61118996
N-(2-hydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 65109995
N-(2-amino-2-methylpropyl)-2-thiophen-3-ylacetamide;hydrochloride
CID 119628292
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
N-(2-chloro-4,4-dimethylpentyl)-2-thiophen-3-ylacetamide
CID 107156940
N-(2,3-dihydroxy-2-methylpropyl)-2-thiophen-3-ylacetamide
CID 66170415
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
CID 101377782

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide (CID 115884675) is N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide is CC(O)C(C)(C)NC(=O)Cc1ccsc1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
The InChIKey is ZJPMSZKVEMYYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-8(13)11(2,3)12-10(14)6-9-4-5-15-7-9/h4-5,7-8,13H,6H2,1-3H3,(H,12,14).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide?
N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide has a molecular weight of 227.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 115884675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).