2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide

C18H16N2O3S — CID 3109980

IUPAC2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c1-12-7-5-6-10-14(12)19-16(21)11-15-17(22)20(18(23)24-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyRKKBKFJEZACNKO-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide (PubChem CID 3109980) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
PubChem CID3109980
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CC1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H16N2O3S/c1-12-7-5-6-10-14(12)19-16(21)11-15-17(22)20(18(23)24-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyRKKBKFJEZACNKO-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_D(3)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide (CID 3109980) is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CC1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is RKKBKFJEZACNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-7-5-6-10-14(12)19-16(21)11-15-17(22)20(18(23)24-15)13-8-3-2-4-9-13/h2-10,15H,11H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide?
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 3109980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).