N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide

C11H15NO2S — CID 71999399

IUPACN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H15NO2S/c1-7(13)12-10-8(5-6-15-10)9(14)11(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyPSTNBMPCTXRYQZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.94
Rot. Bonds2

About N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide

N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide (PubChem CID 71999399) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
PubChem CID71999399
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sccc1C(=O)C(C)(C)C
InChIInChI=1S/C11H15NO2S/c1-7(13)12-10-8(5-6-15-10)9(14)11(2,3)4/h5-6H,1-4H3,(H,12,13)
InChIKeyPSTNBMPCTXRYQZ-UHFFFAOYSA-N
XLogP2.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide?
The IUPAC name of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide (CID 71999399) is N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide is CC(=O)Nc1sccc1C(=O)C(C)(C)C.
What is the InChIKey of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide?
The InChIKey is PSTNBMPCTXRYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-7(13)12-10-8(5-6-15-10)9(14)11(2,3)4/h5-6H,1-4H3,(H,12,13).
What are the key properties of N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide?
N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethylpropanoyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 71999399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).