2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

C16H20N2O4S2 — CID 121150721

IUPAC2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1C
InChIInChI=1S/C16H20N2O4S2/c1-3-21-15-5-4-14(10-12(15)2)24(19,20)18-8-6-13(11-18)22-16-17-7-9-23-16/h4-5,7,9-10,13H,3,6,8,11H2,1-2H3
InChIKeyMSUJJEICGSPPSX-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.69
Rot. Bonds6

About 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121150721) has the molecular formula C16H20N2O4S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121150721
Molecular FormulaC16H20N2O4S2
Molecular Weight368.48 g/mol
Exact Mass368.09
IUPAC Name2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1C
InChIInChI=1S/C16H20N2O4S2/c1-3-21-15-5-4-14(10-12(15)2)24(19,20)18-8-6-13(11-18)22-16-17-7-9-23-16/h4-5,7,9-10,13H,3,6,8,11H2,1-2H3
InChIKeyMSUJJEICGSPPSX-UHFFFAOYSA-N
XLogP2.69
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[1-(4-ethoxy-3-fluorophenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617994
2-[1-[4-(2-methylphenoxy)phenyl]sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150751
2-[1-(3-chloro-4-methylphenyl)sulfonylazetidin-3-yl]oxy-1,3-thiazole
CID 90627728
2-[1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 86264487
2-[1-(3-phenylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150766
2-[(3S)-1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892680
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
methyl N-[4-[3-(1,3-thiazol-2-yloxy)pyrrolidin-1-yl]sulfonylphenyl]carbamate
CID 121150776
2-[1-[1-(3,4-dimethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxy-1,3-thiazole
CID 90617993
2-[1-(2,6-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole
CID 121150752
1-(4-ethoxy-3-methylphenyl)sulfonyl-3-methylpiperidine
CID 66486200
1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 2985818

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole (CID 121150721) is 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is CCOc1ccc(S(=O)(=O)N2CCC(Oc3nccs3)C2)cc1C.
What is the InChIKey of 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is MSUJJEICGSPPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S2/c1-3-21-15-5-4-14(10-12(15)2)24(19,20)18-8-6-13(11-18)22-16-17-7-9-23-16/h4-5,7,9-10,13H,3,6,8,11H2,1-2H3.
What are the key properties of 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 368.48 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-3-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121150721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).