3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide

C11H15NO2S — CID 94259803

IUPAC3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
SMILESCC(C)CC(=O)NCC(=O)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-8(2)6-11(14)12-7-9(13)10-4-3-5-15-10/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyXYWWEEDBQYBINM-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.09
Rot. Bonds5

About 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide

3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide (PubChem CID 94259803) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
PubChem CID94259803
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC Name3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide
SMILESCC(C)CC(=O)NCC(=O)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-8(2)6-11(14)12-7-9(13)10-4-3-5-15-10/h3-5,8H,6-7H2,1-2H3,(H,12,14)
InChIKeyXYWWEEDBQYBINM-UHFFFAOYSA-N
XLogP2.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-(2-oxo-2-thiophen-2-ylethyl)carbamate
CID 70634885
N'-(3-methylbutanoyl)thiophene-2-carbohydrazide;hydrate
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N-(2-methylpropyl)-5-oxo-5-thiophen-2-ylpentanamide
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N-(2-oxo-2-thiophen-2-ylethyl)-2-phenylsulfanylacetamide
CID 56785076
2-[[(1S)-1-phenylethyl]amino]-1-thiophen-2-ylethanone
CID 2385109
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
3-propan-2-ylimino-1-thiophen-2-ylpropan-1-one
CID 91401022
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
CID 116606438
1-thiophen-2-ylpropan-1-one
CID 26179
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 82121213

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide?
The IUPAC name of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide (CID 94259803) is 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide?
The canonical SMILES for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide is CC(C)CC(=O)NCC(=O)c1cccs1.
What is the InChIKey of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide?
The InChIKey is XYWWEEDBQYBINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-8(2)6-11(14)12-7-9(13)10-4-3-5-15-10/h3-5,8H,6-7H2,1-2H3,(H,12,14).
What are the key properties of 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide?
3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide has a molecular weight of 225.31 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-oxo-2-thiophen-2-ylethyl)butanamide is sourced from PubChem (CID 94259803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).