2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide

C22H28N2O6S — CID 86265505

IUPAC2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc(=O)o1
InChIInChI=1S/C22H28N2O6S/c1-13-8-14(2)17(5)22(16(13)4)31(27,28)23-7-6-20(25)24-11-19(12-24)30-18-9-15(3)29-21(26)10-18/h8-10,19,23H,6-7,11-12H2,1-5H3
InChIKeyYLJAOIVALUJXTF-UHFFFAOYSA-N
MW448.54 g/mol
LogP2.14
Rot. Bonds7

About 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide (PubChem CID 86265505) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide
PubChem CID86265505
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc(=O)o1
InChIInChI=1S/C22H28N2O6S/c1-13-8-14(2)17(5)22(16(13)4)31(27,28)23-7-6-20(25)24-11-19(12-24)30-18-9-15(3)29-21(26)10-18/h8-10,19,23H,6-7,11-12H2,1-5H3
InChIKeyYLJAOIVALUJXTF-UHFFFAOYSA-N
XLogP2.14
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide 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 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide (CID 86265505) is 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide is Cc1cc(OC2CN(C(=O)CCNS(=O)(=O)c3c(C)c(C)cc(C)c3C)C2)cc(=O)o1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is YLJAOIVALUJXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-13-8-14(2)17(5)22(16(13)4)31(27,28)23-7-6-20(25)24-11-19(12-24)30-18-9-15(3)29-21(26)10-18/h8-10,19,23H,6-7,11-12H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 448.54 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[3-[3-(2-methyl-6-oxopyran-4-yl)oxyazetidin-1-yl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 86265505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).