N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide

C11H12N2O3S2 — CID 88715739

IUPACN-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(=O)N1C(=O)C(NC(=O)Cc2ccsc2)C1S
InChIInChI=1S/C11H12N2O3S2/c1-6(14)13-10(16)9(11(13)17)12-8(15)4-7-2-3-18-5-7/h2-3,5,9,11,17H,4H2,1H3,(H,12,15)
InChIKeyHNLYOPDRPOAWMU-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds3

About N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide

N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide (PubChem CID 88715739) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide
PubChem CID88715739
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC NameN-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide
SMILESCC(=O)N1C(=O)C(NC(=O)Cc2ccsc2)C1S
InChIInChI=1S/C11H12N2O3S2/c1-6(14)13-10(16)9(11(13)17)12-8(15)4-7-2-3-18-5-7/h2-3,5,9,11,17H,4H2,1H3,(H,12,15)
InChIKeyHNLYOPDRPOAWMU-UHFFFAOYSA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxycyclohexyl)-2-thiophen-3-ylacetamide
CID 62359044
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
N-(2-oxo-1-prop-2-enylazetidin-3-yl)-2-thiophen-3-ylacetamide
CID 67719017
[(5S)-3,3-dimethyl-7-oxo-6-[(2-thiophen-3-ylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]-methoxyphosphinic acid
CID 22801009
N-[1-(2,3-dihydro-1H-inden-2-yl)-5-oxopyrrolidin-3-yl]-2-thiophen-3-ylacetamide
CID 45187421
N-[(5R)-3,3-dimethyl-7-oxo-2-(2H-tetrazol-5-yl)-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-thiophen-3-ylacetamide
CID 70605577
(6R,7R)-3-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-8-oxo-7-[(2-thiophen-3-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbothioic S-acid
CID 139780344
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide
CID 106995263
N-(2-propan-2-ylpyrazol-3-yl)-2-thiophen-3-ylacetamide
CID 30183297
tert-butyl 4-[(2-thiophen-3-ylacetyl)amino]piperidine-1-carboxylate
CID 71629850
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
N-[2-(hydroxymethyl)cyclopentyl]-2-thiophen-3-ylacetamide
CID 103774160

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The IUPAC name of N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide (CID 88715739) is N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The canonical SMILES for N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide is CC(=O)N1C(=O)C(NC(=O)Cc2ccsc2)C1S.
What is the InChIKey of N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide?
The InChIKey is HNLYOPDRPOAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-6(14)13-10(16)9(11(13)17)12-8(15)4-7-2-3-18-5-7/h2-3,5,9,11,17H,4H2,1H3,(H,12,15).
What are the key properties of N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide?
N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide has a molecular weight of 284.36 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-2-oxo-4-sulfanylazetidin-3-yl)-2-thiophen-3-ylacetamide is sourced from PubChem (CID 88715739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).