cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate

C20H22O3S — CID 175065739

IUPACcyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
SMILESCOc1ccc(SC(C(=O)OC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22O3S/c1-22-16-11-13-18(14-12-16)24-19(15-7-3-2-4-8-15)20(21)23-17-9-5-6-10-17/h2-4,7-8,11-14,17,19H,5-6,9-10H2,1H3
InChIKeyQLZYVEQUWYMQDW-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.01
Rot. Bonds6

About cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate

cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate (PubChem CID 175065739) has the molecular formula C20H22O3S and a molecular weight of 342.46 g/mol. Its IUPAC name is cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate.

Molecular Properties

Compound Namecyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
PubChem CID175065739
Molecular FormulaC20H22O3S
Molecular Weight342.46 g/mol
Exact Mass342.13
IUPAC Namecyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate
SMILESCOc1ccc(SC(C(=O)OC2CCCC2)c2ccccc2)cc1
InChIInChI=1S/C20H22O3S/c1-22-16-11-13-18(14-12-16)24-19(15-7-3-2-4-8-15)20(21)23-17-9-5-6-10-17/h2-4,7-8,11-14,17,19H,5-6,9-10H2,1H3
InChIKeyQLZYVEQUWYMQDW-UHFFFAOYSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetate
CID 132582668
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclohexyl 3-amino-2-(4-methoxyphenyl)propanoate
CID 174496709
N-cyclopentyloxy-2-(4-methoxyphenyl)sulfanylacetamide
CID 83201947
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
cyclohexyl 2-(4-methoxyanilino)propanoate
CID 175094894
N-(4-methoxyphenyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712887
cyclohexyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 100941161
ethyl (2S)-2-(4-fluorophenyl)sulfanyl-2-phenylacetate
CID 95573889
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
(1S,2S)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethanol
CID 101428948
ethyl (2S)-2-(4-hydroxyphenyl)sulfanyl-2-(4-methoxyphenyl)acetate
CID 129382572

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate?
The IUPAC name of cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate (CID 175065739) is cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate.
What is the SMILES notation for cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate?
The canonical SMILES for cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate is COc1ccc(SC(C(=O)OC2CCCC2)c2ccccc2)cc1.
What is the InChIKey of cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate?
The InChIKey is QLZYVEQUWYMQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3S/c1-22-16-11-13-18(14-12-16)24-19(15-7-3-2-4-8-15)20(21)23-17-9-5-6-10-17/h2-4,7-8,11-14,17,19H,5-6,9-10H2,1H3.
What are the key properties of cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate?
cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate has a molecular weight of 342.46 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-(4-methoxyphenyl)sulfanyl-2-phenylacetate is sourced from PubChem (CID 175065739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).