2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide

C18H17N3O3S — CID 653164

IUPAC2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
SMILESNC(=O)CN(c1ccccc1)C1SC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S/c19-15(22)12-20(14-9-5-2-6-10-14)17-16(23)21(18(24)25-17)11-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,22)
InChIKeyWWMJBWYJNHKKKG-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.20
Rot. Bonds6

About 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide

2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide (PubChem CID 653164) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide.

Molecular Properties

Compound Name2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
PubChem CID653164
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide
SMILESNC(=O)CN(c1ccccc1)C1SC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C18H17N3O3S/c19-15(22)12-20(14-9-5-2-6-10-14)17-16(23)21(18(24)25-17)11-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,22)
InChIKeyWWMJBWYJNHKKKG-UHFFFAOYSA-N
XLogP2.20
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide 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-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The IUPAC name of 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide (CID 653164) is 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide.
What is the SMILES notation for 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The canonical SMILES for 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide is NC(=O)CN(c1ccccc1)C1SC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
The InChIKey is WWMJBWYJNHKKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c19-15(22)12-20(14-9-5-2-6-10-14)17-16(23)21(18(24)25-17)11-13-7-3-1-4-8-13/h1-10,17H,11-12H2,(H2,19,22).
What are the key properties of 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide?
2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide has a molecular weight of 355.42 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetamide is sourced from PubChem (CID 653164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).