1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine

C25H33FN2O4S — CID 90617029

IUPAC1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C25H33FN2O4S/c1-3-19-8-9-24(31-2)25(18-19)33(29,30)28-16-10-20(11-17-28)27-14-12-21(13-15-27)32-23-7-5-4-6-22(23)26/h4-9,18,20-21H,3,10-17H2,1-2H3
InChIKeyASMIPYLXLUHVJT-UHFFFAOYSA-N
MW476.61 g/mol
LogP4.09
Rot. Bonds7

About 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine

1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine (PubChem CID 90617029) has the molecular formula C25H33FN2O4S and a molecular weight of 476.61 g/mol. Its IUPAC name is 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine.

Molecular Properties

Compound Name1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
PubChem CID90617029
Molecular FormulaC25H33FN2O4S
Molecular Weight476.61 g/mol
Exact Mass476.21
IUPAC Name1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
SMILESCCc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1
InChIInChI=1S/C25H33FN2O4S/c1-3-19-8-9-24(31-2)25(18-19)33(29,30)28-16-10-20(11-17-28)27-14-12-21(13-15-27)32-23-7-5-4-6-22(23)26/h4-9,18,20-21H,3,10-17H2,1-2H3
InChIKeyASMIPYLXLUHVJT-UHFFFAOYSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617008
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-(4-propylphenyl)sulfonylpiperidine
CID 90617004
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[2-(4-methoxyphenyl)ethylsulfonyl]piperidine
CID 90617030
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-thiophen-2-ylsulfonylpiperidine
CID 86264461
1-[(2,5-difluorophenyl)methylsulfonyl]-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617047
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-[4-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonylphenyl]ethanone
CID 90617002
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125
[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 90616897
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90617045
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 90616711
1-[4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidin-1-yl]-3-(4-methylsulfonylphenyl)propan-1-one
CID 90616822

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The IUPAC name of 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine (CID 90617029) is 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine.
What is the SMILES notation for 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The canonical SMILES for 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine is CCc1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)c1.
What is the InChIKey of 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
The InChIKey is ASMIPYLXLUHVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O4S/c1-3-19-8-9-24(31-2)25(18-19)33(29,30)28-16-10-20(11-17-28)27-14-12-21(13-15-27)32-23-7-5-4-6-22(23)26/h4-9,18,20-21H,3,10-17H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine?
1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine has a molecular weight of 476.61 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine is sourced from PubChem (CID 90617029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).