3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine

C21H21NO7S2 — CID 90594797

IUPAC3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1
InChIInChI=1S/C21H21NO7S2/c1-27-20-6-2-3-7-21(20)29-16-8-10-18(11-9-16)31(25,26)22-13-19(14-22)30(23,24)15-17-5-4-12-28-17/h2-12,19H,13-15H2,1H3
InChIKeyBGLULCVGSRGHOB-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.07
Rot. Bonds8

About 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine

3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine (PubChem CID 90594797) has the molecular formula C21H21NO7S2 and a molecular weight of 463.53 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine
PubChem CID90594797
Molecular FormulaC21H21NO7S2
Molecular Weight463.53 g/mol
Exact Mass463.08
IUPAC Name3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1
InChIInChI=1S/C21H21NO7S2/c1-27-20-6-2-3-7-21(20)29-16-8-10-18(11-9-16)31(25,26)22-13-19(14-22)30(23,24)15-17-5-4-12-28-17/h2-12,19H,13-15H2,1H3
InChIKeyBGLULCVGSRGHOB-UHFFFAOYSA-N
XLogP3.07
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(furan-2-ylmethylsulfonyl)-1-[4-(4-methoxyphenyl)phenyl]sulfonylpiperidine
CID 90590757
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(furan-2-ylmethylsulfonyl)pyrrolidine
CID 99873558
3-(furan-2-ylmethylsulfonyl)-1-(3-phenylphenyl)sulfonylazetidine
CID 90594817
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
1-(4-tert-butylphenyl)sulfonyl-4-(furan-2-ylmethylsulfonyl)piperidine
CID 90590714
3-(2-methylpropylsulfonyl)-1-(4-phenoxyphenyl)sulfonylazetidine
CID 90594404
3-(furan-2-ylmethylsulfonyl)-N-(4-methoxyphenyl)azetidine-1-carboxamide
CID 90594704
4-(furan-2-ylmethylsulfonyl)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperidine
CID 90590716
4-(furan-2-ylmethylsulfonyl)-1-(3-methyl-4-propoxyphenyl)sulfonylpiperidine
CID 90590728
4-(furan-2-ylmethylsulfonyl)-1-propan-2-ylsulfonylpiperidine
CID 90590673
1-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 90594579
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine?
The IUPAC name of 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine (CID 90594797) is 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine.
What is the SMILES notation for 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine?
The canonical SMILES for 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine is COc1ccccc1Oc1ccc(S(=O)(=O)N2CC(S(=O)(=O)Cc3ccco3)C2)cc1.
What is the InChIKey of 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine?
The InChIKey is BGLULCVGSRGHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO7S2/c1-27-20-6-2-3-7-21(20)29-16-8-10-18(11-9-16)31(25,26)22-13-19(14-22)30(23,24)15-17-5-4-12-28-17/h2-12,19H,13-15H2,1H3.
What are the key properties of 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine?
3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine has a molecular weight of 463.53 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfonyl)-1-[4-(2-methoxyphenoxy)phenyl]sulfonylazetidine is sourced from PubChem (CID 90594797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).