2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide

C12H19NO2S — CID 112605150

IUPAC2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(10-5-6-16-8-10)13-11(14)7-15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyQVJCVXHHIZETGK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.74
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide

2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide (PubChem CID 112605150) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
PubChem CID112605150
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide
SMILESCC(NC(=O)COC(C)(C)C)c1ccsc1
InChIInChI=1S/C12H19NO2S/c1-9(10-5-6-16-8-10)13-11(14)7-15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14)
InChIKeyQVJCVXHHIZETGK-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-N-(1-thiophen-3-ylethyl)acetamide
CID 79257384
2-[2-oxo-2-(1-thiophen-3-ylethylamino)ethoxy]acetic acid
CID 62841517
2-chloro-N-(1-thiophen-3-ylethyl)acetamide
CID 62842251
2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
2-[(2-methylpropan-2-yl)oxy]-N-thiophen-3-ylacetamide
CID 112605491
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940549
2-(2-aminophenoxy)-N-(1-thiophen-3-ylethyl)acetamide
CID 62840774
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-thiophen-3-ylethanamine
CID 112568339
2-methyl-2-(methylamino)-N-(1-thiophen-3-ylethyl)propanamide
CID 62843521
N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604497

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide (CID 112605150) is 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide is CC(NC(=O)COC(C)(C)C)c1ccsc1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide?
The InChIKey is QVJCVXHHIZETGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-9(10-5-6-16-8-10)13-11(14)7-15-12(2,3)4/h5-6,8-9H,7H2,1-4H3,(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide?
2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide has a molecular weight of 241.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-N-(1-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 112605150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).