5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide

C20H20N2O4S — CID 10221625

IUPAC5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H20N2O4S/c1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17/h3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyYGEKRXCIQJDLDQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.83
Rot. Bonds6

About 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide

5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 10221625) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
PubChem CID10221625
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C20H20N2O4S/c1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17/h3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25)
InChIKeyYGEKRXCIQJDLDQ-UHFFFAOYSA-N
XLogP2.83
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide (CID 10221625) is 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is COc1ccc(CC2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YGEKRXCIQJDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-12-3-5-13(6-4-12)11-21-18(23)15-9-14(7-8-16(15)26-2)10-17-19(24)22-20(25)27-17/h3-9,17H,10-11H2,1-2H3,(H,21,23)(H,22,24,25).
What are the key properties of 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide?
5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 10221625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).