ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate

C32H36ClN3O6S — CID 68750291

IUPACethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(CCc1ccc(O)cc1)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1
InChIInChI=1S/C32H36ClN3O6S/c1-2-42-31(40)22-34(16-13-24-7-11-26(37)12-8-24)29(38)20-28-32(41)35(17-14-23-5-9-25(33)10-6-23)21-30(39)36(28)18-15-27-4-3-19-43-27/h3-12,19,28,37H,2,13-18,20-22H2,1H3
InChIKeyFDMVBPLOLNSXTJ-UHFFFAOYSA-N
MW626.18 g/mol
LogP3.96
Rot. Bonds14

About ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate

ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate (PubChem CID 68750291) has the molecular formula C32H36ClN3O6S and a molecular weight of 626.18 g/mol. Its IUPAC name is ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate
PubChem CID68750291
Molecular FormulaC32H36ClN3O6S
Molecular Weight626.18 g/mol
Exact Mass625.20
IUPAC Nameethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate
SMILESCCOC(=O)CN(CCc1ccc(O)cc1)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1
InChIInChI=1S/C32H36ClN3O6S/c1-2-42-31(40)22-34(16-13-24-7-11-26(37)12-8-24)29(38)20-28-32(41)35(17-14-23-5-9-25(33)10-6-23)21-30(39)36(28)18-15-27-4-3-19-43-27/h3-12,19,28,37H,2,13-18,20-22H2,1H3
InChIKeyFDMVBPLOLNSXTJ-UHFFFAOYSA-N
XLogP3.96
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500626.18
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate (CID 68750291) is ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate is CCOC(=O)CN(CCc1ccc(O)cc1)C(=O)CC1C(=O)N(CCc2ccc(Cl)cc2)CC(=O)N1CCc1cccs1.
What is the InChIKey of ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate?
The InChIKey is FDMVBPLOLNSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN3O6S/c1-2-42-31(40)22-34(16-13-24-7-11-26(37)12-8-24)29(38)20-28-32(41)35(17-14-23-5-9-25(33)10-6-23)21-30(39)36(28)18-15-27-4-3-19-43-27/h3-12,19,28,37H,2,13-18,20-22H2,1H3.
What are the key properties of ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate?
ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate has a molecular weight of 626.18 g/mol, XLogP of 3.96, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[4-[2-(4-chlorophenyl)ethyl]-3,6-dioxo-1-(2-thiophen-2-ylethyl)piperazin-2-yl]acetyl]-[2-(4-hydroxyphenyl)ethyl]amino]acetate is sourced from PubChem (CID 68750291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).