N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide

C17H20N2O5S — CID 70252592

IUPACN-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1SCC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H20N2O5S/c20-12(13-7-4-8-23-13)10-25-17-15(16(22)19-17)18-14(21)9-24-11-5-2-1-3-6-11/h1-3,5-6,13,15,17H,4,7-10H2,(H,18,21)(H,19,22)/t13-,15+,17+/m0/s1
InChIKeyYTEWMNURZKHJSP-YSVLISHTSA-N
MW364.42 g/mol
LogP0.49
Rot. Bonds8

About N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide

N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide (PubChem CID 70252592) has the molecular formula C17H20N2O5S and a molecular weight of 364.42 g/mol. Its IUPAC name is N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide
PubChem CID70252592
Molecular FormulaC17H20N2O5S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC NameN-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1SCC(=O)[C@@H]1CCCO1
InChIInChI=1S/C17H20N2O5S/c20-12(13-7-4-8-23-13)10-25-17-15(16(22)19-17)18-14(21)9-24-11-5-2-1-3-6-11/h1-3,5-6,13,15,17H,4,7-10H2,(H,18,21)(H,19,22)/t13-,15+,17+/m0/s1
InChIKeyYTEWMNURZKHJSP-YSVLISHTSA-N
XLogP0.49
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide with MolForge

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Related Compounds

[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]-2-phenoxyacetamide
CID 54478307
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 67744007
(2R)-N'-[2-(4-chlorophenoxy)acetyl]oxolane-2-carbohydrazide
CID 40562072
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 70465563
N-[(6S)-8-oxo-5-thia-1-azabicyclo[4.2.0]octan-7-yl]-2-phenoxyacetamide
CID 54368837
5-O-tert-butyl 1-O-[(4-nitrophenyl)methyl] 2-oxo-3-[[(2R,3R)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl]sulfanylmethyl]pentanedioate
CID 15117529

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide (CID 70252592) is N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H]1C(=O)N[C@@H]1SCC(=O)[C@@H]1CCCO1.
What is the InChIKey of N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide?
The InChIKey is YTEWMNURZKHJSP-YSVLISHTSA-N. The full InChI is InChI=1S/C17H20N2O5S/c20-12(13-7-4-8-23-13)10-25-17-15(16(22)19-17)18-14(21)9-24-11-5-2-1-3-6-11/h1-3,5-6,13,15,17H,4,7-10H2,(H,18,21)(H,19,22)/t13-,15+,17+/m0/s1.
What are the key properties of N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide?
N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide has a molecular weight of 364.42 g/mol, XLogP of 0.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-2-oxo-4-[2-oxo-2-[(2S)-oxolan-2-yl]ethyl]sulfanylazetidin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 70252592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).