2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone

C22H31NO4S — CID 58144646

IUPAC2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(OC2CCCC2)cc1)C1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C22H31NO4S/c24-22(16-17-6-12-21(13-7-17)27-20-4-1-2-5-20)18-8-10-19(11-9-18)23-14-3-15-28(23,25)26/h6-7,12-13,18-20H,1-5,8-11,14-16H2
InChIKeyUFASOWMVTGVFCP-UHFFFAOYSA-N
MW405.56 g/mol
LogP3.71
Rot. Bonds6

About 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone

2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone (PubChem CID 58144646) has the molecular formula C22H31NO4S and a molecular weight of 405.56 g/mol. Its IUPAC name is 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone
PubChem CID58144646
Molecular FormulaC22H31NO4S
Molecular Weight405.56 g/mol
Exact Mass405.20
IUPAC Name2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone
SMILESO=C(Cc1ccc(OC2CCCC2)cc1)C1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C22H31NO4S/c24-22(16-17-6-12-21(13-7-17)27-20-4-1-2-5-20)18-8-10-19(11-9-18)23-14-3-15-28(23,25)26/h6-7,12-13,18-20H,1-5,8-11,14-16H2
InChIKeyUFASOWMVTGVFCP-UHFFFAOYSA-N
XLogP3.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone?
The IUPAC name of 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone (CID 58144646) is 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone.
What is the SMILES notation for 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone?
The canonical SMILES for 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone is O=C(Cc1ccc(OC2CCCC2)cc1)C1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone?
The InChIKey is UFASOWMVTGVFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO4S/c24-22(16-17-6-12-21(13-7-17)27-20-4-1-2-5-20)18-8-10-19(11-9-18)23-14-3-15-28(23,25)26/h6-7,12-13,18-20H,1-5,8-11,14-16H2.
What are the key properties of 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone?
2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone has a molecular weight of 405.56 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentyloxyphenyl)-1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexyl]ethanone is sourced from PubChem (CID 58144646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).