2-methyl-3-thiophen-3-ylpropanamide

C8H11NOS — CID 66848464

IUPAC2-methyl-3-thiophen-3-ylpropanamide
SMILESCC(Cc1ccsc1)C(N)=O
InChIInChI=1S/C8H11NOS/c1-6(8(9)10)4-7-2-3-11-5-7/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyZBJUQEIZJWXXOC-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-3-thiophen-3-ylpropanamide

2-methyl-3-thiophen-3-ylpropanamide (PubChem CID 66848464) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-3-thiophen-3-ylpropanamide
PubChem CID66848464
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name2-methyl-3-thiophen-3-ylpropanamide
SMILESCC(Cc1ccsc1)C(N)=O
InChIInChI=1S/C8H11NOS/c1-6(8(9)10)4-7-2-3-11-5-7/h2-3,5-6H,4H2,1H3,(H2,9,10)
InChIKeyZBJUQEIZJWXXOC-UHFFFAOYSA-N
XLogP1.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiophen-3-ylpropanamide?
The IUPAC name of 2-methyl-3-thiophen-3-ylpropanamide (CID 66848464) is 2-methyl-3-thiophen-3-ylpropanamide.
What is the SMILES notation for 2-methyl-3-thiophen-3-ylpropanamide?
The canonical SMILES for 2-methyl-3-thiophen-3-ylpropanamide is CC(Cc1ccsc1)C(N)=O.
What is the InChIKey of 2-methyl-3-thiophen-3-ylpropanamide?
The InChIKey is ZBJUQEIZJWXXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6(8(9)10)4-7-2-3-11-5-7/h2-3,5-6H,4H2,1H3,(H2,9,10).
What are the key properties of 2-methyl-3-thiophen-3-ylpropanamide?
2-methyl-3-thiophen-3-ylpropanamide has a molecular weight of 169.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 66848464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).