methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate

C13H15NO4S — CID 19605384

IUPACmethyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1CC(Sc2ccc(OC)cc2)C1=O
InChIInChI=1S/C13H15NO4S/c1-17-9-3-5-10(6-4-9)19-11-7-14(13(11)16)8-12(15)18-2/h3-6,11H,7-8H2,1-2H3
InChIKeySNFJDMFZYLYFKM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.17
Rot. Bonds5

About methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate

methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate (PubChem CID 19605384) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate
PubChem CID19605384
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Namemethyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate
SMILESCOC(=O)CN1CC(Sc2ccc(OC)cc2)C1=O
InChIInChI=1S/C13H15NO4S/c1-17-9-3-5-10(6-4-9)19-11-7-14(13(11)16)8-12(15)18-2/h3-6,11H,7-8H2,1-2H3
InChIKeySNFJDMFZYLYFKM-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate (CID 19605384) is methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate is COC(=O)CN1CC(Sc2ccc(OC)cc2)C1=O.
What is the InChIKey of methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate?
The InChIKey is SNFJDMFZYLYFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-17-9-3-5-10(6-4-9)19-11-7-14(13(11)16)8-12(15)18-2/h3-6,11H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate?
methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate has a molecular weight of 281.33 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(4-methoxyphenyl)sulfanyl-2-oxoazetidin-1-yl]acetate is sourced from PubChem (CID 19605384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).