N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide

C14H16N2O3S — CID 54368837

IUPACN-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1C(=O)N2CCCS[C@@H]12
InChIInChI=1S/C14H16N2O3S/c17-11(9-19-10-5-2-1-3-6-10)15-12-13(18)16-7-4-8-20-14(12)16/h1-3,5-6,12,14H,4,7-9H2,(H,15,17)/t12?,14-/m0/s1
InChIKeyURSCQDKTPPAUPG-PYMCNQPYSA-N
MW292.36 g/mol
LogP0.86
Rot. Bonds4

About N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide

N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide (PubChem CID 54368837) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
PubChem CID54368837
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC1C(=O)N2CCCS[C@@H]12
InChIInChI=1S/C14H16N2O3S/c17-11(9-19-10-5-2-1-3-6-10)15-12-13(18)16-7-4-8-20-14(12)16/h1-3,5-6,12,14H,4,7-9H2,(H,15,17)/t12?,14-/m0/s1
InChIKeyURSCQDKTPPAUPG-PYMCNQPYSA-N
XLogP0.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide with MolForge

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Related Compounds

N-[(3R,5S)-3-(bromomethyl)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]-2-phenoxyacetamide
CID 54406204
(6R,7R)-8-oxo-7-[(2-phenoxyacetyl)amino]-3-(thiolan-2-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 67724129
2-(4-hydroxyanilino)-N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]acetamide
CID 22809383
(6S,7S)-3-(hydroxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 22825961
N-[(6S)-3-methylidene-8-oxo-2-(pyrrolidine-1-carbonyl)-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
CID 70631388
(2S)-N-[(6R,7R)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-3-phenyl-2-(3-phenylpropanoylamino)propanamide
CID 57060080
N-cyclohexylcyclohexanamine;(6R)-3-(methoxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70523145
(6S,7R)-3-benzylsulfanyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 70566102
(6R,7R)-3-(formyloxymethyl)-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 13365389
benzhydryl 3-hydroxy-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CID 54721855
(4S,6S)-4-methoxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CID 57051575
potassium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydride;zinc
CID 173413182

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide (CID 54368837) is N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC1C(=O)N2CCCS[C@@H]12.
What is the InChIKey of N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide?
The InChIKey is URSCQDKTPPAUPG-PYMCNQPYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c17-11(9-19-10-5-2-1-3-6-10)15-12-13(18)16-7-4-8-20-14(12)16/h1-3,5-6,12,14H,4,7-9H2,(H,15,17)/t12?,14-/m0/s1.
What are the key properties of N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide?
N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide has a molecular weight of 292.36 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide is sourced from PubChem (CID 54368837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).