methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate

C20H22N2O5S — CID 55514544

IUPACmethyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-27-20(24)17-5-3-15(4-6-17)11-12-21-19(23)16-7-9-18(10-8-16)22-13-2-14-28(22,25)26/h3-10H,2,11-14H2,1H3,(H,21,23)
InChIKeyFPAOPEJVDZWBFH-UHFFFAOYSA-N
MW402.47 g/mol
LogP1.99
Rot. Bonds6

About methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate

methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate (PubChem CID 55514544) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
PubChem CID55514544
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Namemethyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate
SMILESCOC(=O)c1ccc(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-27-20(24)17-5-3-15(4-6-17)11-12-21-19(23)16-7-9-18(10-8-16)22-13-2-14-28(22,25)26/h3-10H,2,11-14H2,1H3,(H,21,23)
InChIKeyFPAOPEJVDZWBFH-UHFFFAOYSA-N
XLogP1.99
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate 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

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethylbenzamide
CID 51246187
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937865
N-[(3,4-dimethoxyphenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9404185
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 9456726
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(methylamino)propyl]benzamide
CID 120829578
N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51647787
N-[2-(4-tert-butylphenoxy)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 9490187
N-[2-(4-aminophenyl)ethyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 119549268
(4-ethylphenyl) 4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate
CID 134030266
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-ethoxybenzamide
CID 18169101
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(4-pentylphenyl)benzamide
CID 55432816

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate?
The IUPAC name of methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate (CID 55514544) is methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate.
What is the SMILES notation for methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate?
The canonical SMILES for methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate is COC(=O)c1ccc(CCNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1.
What is the InChIKey of methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate?
The InChIKey is FPAOPEJVDZWBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-27-20(24)17-5-3-15(4-6-17)11-12-21-19(23)16-7-9-18(10-8-16)22-13-2-14-28(22,25)26/h3-10H,2,11-14H2,1H3,(H,21,23).
What are the key properties of methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate?
methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate has a molecular weight of 402.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]ethyl]benzoate is sourced from PubChem (CID 55514544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).