N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide

C12H16FNO2S — CID 168951032

IUPACN-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(F)c(CNC(=O)C(C)(C)C)s1
InChIInChI=1S/C12H16FNO2S/c1-7(15)9-5-8(13)10(17-9)6-14-11(16)12(2,3)4/h5H,6H2,1-4H3,(H,14,16)
InChIKeyGCTGLLCTXCKDGX-UHFFFAOYSA-N
MW257.33 g/mol
LogP2.75
Rot. Bonds3

About N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide

N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 168951032) has the molecular formula C12H16FNO2S and a molecular weight of 257.33 g/mol. Its IUPAC name is N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID168951032
Molecular FormulaC12H16FNO2S
Molecular Weight257.33 g/mol
Exact Mass257.09
IUPAC NameN-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(=O)c1cc(F)c(CNC(=O)C(C)(C)C)s1
InChIInChI=1S/C12H16FNO2S/c1-7(15)9-5-8(13)10(17-9)6-14-11(16)12(2,3)4/h5H,6H2,1-4H3,(H,14,16)
InChIKeyGCTGLLCTXCKDGX-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide (CID 168951032) is N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide is CC(=O)c1cc(F)c(CNC(=O)C(C)(C)C)s1.
What is the InChIKey of N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is GCTGLLCTXCKDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S/c1-7(15)9-5-8(13)10(17-9)6-14-11(16)12(2,3)4/h5H,6H2,1-4H3,(H,14,16).
What are the key properties of N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 257.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-3-fluorothiophen-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 168951032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).