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

C17H14N2O3S — CID 2848909

IUPACN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O3S/c1-12(20)18(13-8-4-2-5-9-13)16-15(21)19(17(22)23-16)14-10-6-3-7-11-14/h2-11,16H,1H3
InChIKeyVKBULPRZNBBWFY-UHFFFAOYSA-N
MW326.38 g/mol
LogP3.27
Rot. Bonds3

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

N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide (PubChem CID 2848909) has the molecular formula C17H14N2O3S and a molecular weight of 326.38 g/mol. Its IUPAC name is N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
PubChem CID2848909
Molecular FormulaC17H14N2O3S
Molecular Weight326.38 g/mol
Exact Mass326.07
IUPAC NameN-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
SMILESCC(=O)N(c1ccccc1)C1SC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C17H14N2O3S/c1-12(20)18(13-8-4-2-5-9-13)16-15(21)19(17(22)23-16)14-10-6-3-7-11-14/h2-11,16H,1H3
InChIKeyVKBULPRZNBBWFY-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The IUPAC name of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide (CID 2848909) is N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide.
What is the SMILES notation for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The canonical SMILES for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide is CC(=O)N(c1ccccc1)C1SC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
The InChIKey is VKBULPRZNBBWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3S/c1-12(20)18(13-8-4-2-5-9-13)16-15(21)19(17(22)23-16)14-10-6-3-7-11-14/h2-11,16H,1H3.
What are the key properties of N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide?
N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide has a molecular weight of 326.38 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-phenylacetamide is sourced from PubChem (CID 2848909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).