N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide

C25H24N2O4S — CID 20997328

IUPACN-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
SMILESCC1(C)CS(=O)(=O)N(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2)C1=O
InChIInChI=1S/C25H24N2O4S/c1-25(2)18-32(30,31)27(24(25)29)22-15-9-12-20(16-22)23(28)26(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-16H,17-18H2,1-2H3
InChIKeyBJQCDPYGTWPATR-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.24
Rot. Bonds5

About N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide

N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide (PubChem CID 20997328) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
PubChem CID20997328
Molecular FormulaC25H24N2O4S
Molecular Weight448.54 g/mol
Exact Mass448.15
IUPAC NameN-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide
SMILESCC1(C)CS(=O)(=O)N(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2)C1=O
InChIInChI=1S/C25H24N2O4S/c1-25(2)18-32(30,31)27(24(25)29)22-15-9-12-20(16-22)23(28)26(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-16H,17-18H2,1-2H3
InChIKeyBJQCDPYGTWPATR-UHFFFAOYSA-N
XLogP4.24
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide 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 N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The IUPAC name of N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide (CID 20997328) is N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide.
What is the SMILES notation for N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The canonical SMILES for N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide is CC1(C)CS(=O)(=O)N(c2cccc(C(=O)N(Cc3ccccc3)c3ccccc3)c2)C1=O.
What is the InChIKey of N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
The InChIKey is BJQCDPYGTWPATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-25(2)18-32(30,31)27(24(25)29)22-15-9-12-20(16-22)23(28)26(21-13-7-4-8-14-21)17-19-10-5-3-6-11-19/h3-16H,17-18H2,1-2H3.
What are the key properties of N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide?
N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide has a molecular weight of 448.54 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-phenylbenzamide is sourced from PubChem (CID 20997328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).