N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide

C12H14N2O2S — CID 67719017

IUPACN-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide
SMILESC=CCN1CC(NC(=O)Cc2ccsc2)C1=O
InChIInChI=1S/C12H14N2O2S/c1-2-4-14-7-10(12(14)16)13-11(15)6-9-3-5-17-8-9/h2-3,5,8,10H,1,4,6-7H2,(H,13,15)
InChIKeyYVFNVXGRTUQYOR-UHFFFAOYSA-N
MW250.32 g/mol
LogP0.80
Rot. Bonds5

About N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide

N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide (PubChem CID 67719017) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide
PubChem CID67719017
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC NameN-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide
SMILESC=CCN1CC(NC(=O)Cc2ccsc2)C1=O
InChIInChI=1S/C12H14N2O2S/c1-2-4-14-7-10(12(14)16)13-11(15)6-9-3-5-17-8-9/h2-3,5,8,10H,1,4,6-7H2,(H,13,15)
InChIKeyYVFNVXGRTUQYOR-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-2-thiophen-3-ylacetamide
CID 2517958
N1-(2-(thiophen-3-yl)ethyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49752403
2-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-propan-2-ylazetidine-2-carboxamide
CID 49792557
N-Isopropyl-2-(thiophen-3-YL)acetamide
CID 23548834
N-(1-hydrazinyl-4-methyl-1-oxopentan-2-yl)-2-thiophen-3-ylacetamide
CID 2819869
N-[2-(dimethylamino)-2-(thiophen-3-yl)ethyl]-2-methylpropanamide
CID 16931186
N-butyl-2-methyl-1-(3-methylthiophene-2-carbonyl)azetidine-2-carboxamide
CID 49792848
N-[(7-Oxoazepan-2-YL)methyl]-2-(thiophen-3-YL)acetamide
CID 91909424
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 16931185
N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]-2-thiophen-3-ylacetamide
CID 32631292
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-methylbutanamide
CID 45810389
N-ethyl-2-(3-thiophen-3-ylpropanoylamino)propanamide
CID 45844848

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide (CID 67719017) is N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide is C=CCN1CC(NC(=O)Cc2ccsc2)C1=O.
What is the InChIKey of N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The InChIKey is YVFNVXGRTUQYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-2-4-14-7-10(12(14)16)13-11(15)6-9-3-5-17-8-9/h2-3,5,8,10H,1,4,6-7H2,(H,13,15).
What are the key properties of N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide?
N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide has a molecular weight of 250.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 67719017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).