N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C26H26N2O4S — CID 90676024

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C3SCC(=O)N3c3ccccc3OC)c2)cc1
InChIInChI=1S/C26H26N2O4S/c1-31-21-12-10-18(11-13-21)14-15-27-25(30)19-6-5-7-20(16-19)26-28(24(29)17-33-26)22-8-3-4-9-23(22)32-2/h3-13,16,26H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyWRTSXBYNFDTMSK-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.45
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 90676024) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
PubChem CID90676024
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C3SCC(=O)N3c3ccccc3OC)c2)cc1
InChIInChI=1S/C26H26N2O4S/c1-31-21-12-10-18(11-13-21)14-15-27-25(30)19-6-5-7-20(16-19)26-28(24(29)17-33-26)22-8-3-4-9-23(22)32-2/h3-13,16,26H,14-15,17H2,1-2H3,(H,27,30)
InChIKeyWRTSXBYNFDTMSK-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 90676024) is N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is COc1ccc(CCNC(=O)c2cccc(C3SCC(=O)N3c3ccccc3OC)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
The InChIKey is WRTSXBYNFDTMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-31-21-12-10-18(11-13-21)14-15-27-25(30)19-6-5-7-20(16-19)26-28(24(29)17-33-26)22-8-3-4-9-23(22)32-2/h3-13,16,26H,14-15,17H2,1-2H3,(H,27,30).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 462.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 90676024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).