2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

C20H20N2O4S2 — CID 121150751

IUPAC2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-4-2-3-5-19(15)25-16-6-8-18(9-7-16)28(23,24)22-12-10-17(14-22)26-20-21-11-13-27-20/h2-9,11,13,17H,10,12,14H2,1H3
InChIKeyUZNJCLXEXAAQPO-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.09
Rot. Bonds6

About 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150751) has the molecular formula C20H20N2O4S2 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150751
Molecular FormulaC20H20N2O4S2
Molecular Weight416.52 g/mol
Exact Mass416.09
IUPAC Name2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1
InChIInChI=1S/C20H20N2O4S2/c1-15-4-2-3-5-19(15)25-16-6-8-18(9-7-16)28(23,24)22-12-10-17(14-22)26-20-21-11-13-27-20/h2-9,11,13,17H,10,12,14H2,1H3
InChIKeyUZNJCLXEXAAQPO-UHFFFAOYSA-N
XLogP4.09
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90618031
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150721
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
2-[1-(4-fluorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627703
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-(4-chlorophenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627754
2-[1-(3-phenoxypropylsulfonyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150768
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
4-(4-fluorophenyl)sulfonyl-1-[4-(2-methylphenoxy)phenyl]sulfonylpiperidine
CID 90589932

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150751) is 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1.
What is the InChIKey of 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is UZNJCLXEXAAQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S2/c1-15-4-2-3-5-19(15)25-16-6-8-18(9-7-16)28(23,24)22-12-10-17(14-22)26-20-21-11-13-27-20/h2-9,11,13,17H,10,12,14H2,1H3.
What are the key properties of 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 416.52 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).