N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide

C11H15NO2S — CID 22925217

IUPACN,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCCN(CC)C(=O)CC(=O)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-3-12(4-2)11(14)8-9(13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyVMKJFCXZTCOOLZ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.19
Rot. Bonds5

About N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide

N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide (PubChem CID 22925217) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
PubChem CID22925217
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide
SMILESCCN(CC)C(=O)CC(=O)c1cccs1
InChIInChI=1S/C11H15NO2S/c1-3-12(4-2)11(14)8-9(13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyVMKJFCXZTCOOLZ-UHFFFAOYSA-N
XLogP2.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylthiophene-2-carboxamide
CID 962897
CID 69259223
CID 69259223
1-thiophen-2-ylpropan-1-one
CID 26179
N-ethyl-4-oxo-4-thiophen-2-yl-N-(thiophen-2-ylmethyl)butanamide
CID 78801765
2-ethoxy-1-thiophen-2-ylethanone
CID 43799570
dimethyl-(2-oxo-2-thiophen-2-ylethyl)sulfanium
CID 5200476
2,4-dioxo-4-thiophen-2-ylbutanoic acid
CID 2771674
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
N-ethyl-N-(2-hydroxy-2-methylpropyl)thiophene-2-carboxamide
CID 79381712
2-[ethyl-(2-oxo-2-thiophen-2-ylethyl)amino]-N-methylacetamide
CID 62052835

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide?
The IUPAC name of N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide (CID 22925217) is N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide?
The canonical SMILES for N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide is CCN(CC)C(=O)CC(=O)c1cccs1.
What is the InChIKey of N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide?
The InChIKey is VMKJFCXZTCOOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-3-12(4-2)11(14)8-9(13)10-6-5-7-15-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide?
N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-oxo-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 22925217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).