2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide

C25H22N2O3S — CID 10159792

IUPAC2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-27(21-8-3-2-4-9-21)23(28)16-18-6-5-7-20(14-18)19-12-10-17(11-13-19)15-22-24(29)26-25(30)31-22/h2-14,22H,15-16H2,1H3,(H,26,29,30)
InChIKeyCVJAJRAKHXNCCB-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.45
Rot. Bonds6

About 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide

2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide (PubChem CID 10159792) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
PubChem CID10159792
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)c1ccccc1
InChIInChI=1S/C25H22N2O3S/c1-27(21-8-3-2-4-9-21)23(28)16-18-6-5-7-20(14-18)19-12-10-17(11-13-19)15-22-24(29)26-25(30)31-22/h2-14,22H,15-16H2,1H3,(H,26,29,30)
InChIKeyCVJAJRAKHXNCCB-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide 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 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide (CID 10159792) is 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide is CN(C(=O)Cc1cccc(-c2ccc(CC3SC(=O)NC3=O)cc2)c1)c1ccccc1.
What is the InChIKey of 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide?
The InChIKey is CVJAJRAKHXNCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-27(21-8-3-2-4-9-21)23(28)16-18-6-5-7-20(14-18)19-12-10-17(11-13-19)15-22-24(29)26-25(30)31-22/h2-14,22H,15-16H2,1H3,(H,26,29,30).
What are the key properties of 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide?
2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide has a molecular weight of 430.53 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]phenyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 10159792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).