N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide

C11H17NO2S — CID 110663588

IUPACN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-5-11(14)12(2)8-9(13)10-6-4-7-15-10/h4,6-7,9,13H,3,5,8H2,1-2H3
InChIKeyWQHVYXGPRRYSFH-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.04
Rot. Bonds5

About N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide

N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide (PubChem CID 110663588) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
PubChem CID110663588
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(O)c1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-5-11(14)12(2)8-9(13)10-6-4-7-15-10/h4,6-7,9,13H,3,5,8H2,1-2H3
InChIKeyWQHVYXGPRRYSFH-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-3-thiophen-2-ylpropyl)-N-methylbutanamide
CID 23069586
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylacetamide
CID 110663586
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylthiophene-2-carboxamide
CID 110663600
(3R)-3-hydroxy-N,N-dimethyl-3-thiophen-2-ylpropanamide
CID 141411439
3-tert-butyl-1-(2-hydroxy-2-thiophen-2-ylethyl)-1-methylurea
CID 110663757
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylcyclohexanecarboxamide
CID 110663593
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-3-(3-oxo-4H-quinoxalin-2-yl)propanamide
CID 110663583
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-1,3-thiazolidine-4-carboxamide
CID 110663570
(1R)-2-(propylamino)-1-thiophen-2-ylethanol
CID 39237770
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
2-ethoxy-N-(3-hydroxy-3-thiophen-2-ylpropyl)acetamide
CID 90523997
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide?
The IUPAC name of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide (CID 110663588) is N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide is CCCC(=O)N(C)CC(O)c1cccs1.
What is the InChIKey of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide?
The InChIKey is WQHVYXGPRRYSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-5-11(14)12(2)8-9(13)10-6-4-7-15-10/h4,6-7,9,13H,3,5,8H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide?
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide has a molecular weight of 227.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide is sourced from PubChem (CID 110663588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).