N-methyl-3-oxo-3-thiophen-2-ylpropanamide

C8H9NO2S — CID 22925330

IUPACN-methyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCNC(=O)CC(=O)c1cccs1
InChIInChI=1S/C8H9NO2S/c1-9-8(11)5-6(10)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyMISKVKGEMKUCTJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.07
Rot. Bonds3

About N-methyl-3-oxo-3-thiophen-2-ylpropanamide

N-methyl-3-oxo-3-thiophen-2-ylpropanamide (PubChem CID 22925330) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is N-methyl-3-oxo-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-methyl-3-oxo-3-thiophen-2-ylpropanamide
PubChem CID22925330
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC NameN-methyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCNC(=O)CC(=O)c1cccs1
InChIInChI=1S/C8H9NO2S/c1-9-8(11)5-6(10)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11)
InChIKeyMISKVKGEMKUCTJ-UHFFFAOYSA-N
XLogP1.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-oxo-3-thiophen-2-ylpropanamide?
The IUPAC name of N-methyl-3-oxo-3-thiophen-2-ylpropanamide (CID 22925330) is N-methyl-3-oxo-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-methyl-3-oxo-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-methyl-3-oxo-3-thiophen-2-ylpropanamide is CNC(=O)CC(=O)c1cccs1.
What is the InChIKey of N-methyl-3-oxo-3-thiophen-2-ylpropanamide?
The InChIKey is MISKVKGEMKUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-9-8(11)5-6(10)7-3-2-4-12-7/h2-4H,5H2,1H3,(H,9,11).
What are the key properties of N-methyl-3-oxo-3-thiophen-2-ylpropanamide?
N-methyl-3-oxo-3-thiophen-2-ylpropanamide has a molecular weight of 183.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-oxo-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 22925330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).