2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole

C15H19N3O3S — CID 131892364

IUPAC2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CC(Oc3cccc(C)c3)C2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-3-14-16-8-15(17-14)22(19,20)18-9-13(10-18)21-12-6-4-5-11(2)7-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyMWWFSZUEOOFOHZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.73
Rot. Bonds5

About 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole

2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole (PubChem CID 131892364) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole.

Molecular Properties

Compound Name2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole
PubChem CID131892364
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole
SMILESCCc1ncc(S(=O)(=O)N2CC(Oc3cccc(C)c3)C2)[nH]1
InChIInChI=1S/C15H19N3O3S/c1-3-14-16-8-15(17-14)22(19,20)18-9-13(10-18)21-12-6-4-5-11(2)7-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17)
InChIKeyMWWFSZUEOOFOHZ-UHFFFAOYSA-N
XLogP1.73
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-imidazole
CID 64596839
3-(3-methylphenoxy)-1-(1-methylsulfonylpropan-2-yl)azetidine
CID 131929625
2,5-dimethyl-3-[3-(3-methylphenoxy)azetidin-1-yl]pyrazine
CID 134697947
7-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 131902416
5-[3-[3-(4-fluorophenoxy)azetidin-1-yl]sulfonylphenyl]-2-methylpyrimidine
CID 171908848
N-[2-(dimethylamino)pentyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122571233
5-(3-methylphenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 115030262
formic acid;1-[2-(3-methoxyphenoxy)ethyl]-3-(3-methylphenoxy)azetidine
CID 154915892
5-[[3-(3-methylphenoxy)azetidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 56722948
4-(3-ethylphenoxy)-1-(4-methylphenyl)sulfonylpiperidine
CID 110420727
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121
(3-methylphenoxy)cyclononane
CID 145391482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole?
The IUPAC name of 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole (CID 131892364) is 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole.
What is the SMILES notation for 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole?
The canonical SMILES for 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole is CCc1ncc(S(=O)(=O)N2CC(Oc3cccc(C)c3)C2)[nH]1.
What is the InChIKey of 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole?
The InChIKey is MWWFSZUEOOFOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-14-16-8-15(17-14)22(19,20)18-9-13(10-18)21-12-6-4-5-11(2)7-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole?
2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole has a molecular weight of 321.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[3-(3-methylphenoxy)azetidin-1-yl]sulfonyl-1H-imidazole is sourced from PubChem (CID 131892364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).