2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide

C17H13N3O4S2 — CID 56930780

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1cccs1
InChIInChI=1S/C17H13N3O4S2/c21-13(8-19-15(23)10-4-1-2-5-11(10)16(19)24)18-20-14(22)9-26-17(20)12-6-3-7-25-12/h1-7,17H,8-9H2,(H,18,21)
InChIKeyZMJUDILSEWPUEY-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.65
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide (PubChem CID 56930780) has the molecular formula C17H13N3O4S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
PubChem CID56930780
Molecular FormulaC17H13N3O4S2
Molecular Weight387.44 g/mol
Exact Mass387.03
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1cccs1
InChIInChI=1S/C17H13N3O4S2/c21-13(8-19-15(23)10-4-1-2-5-11(10)16(19)24)18-20-14(22)9-26-17(20)12-6-3-7-25-12/h1-7,17H,8-9H2,(H,18,21)
InChIKeyZMJUDILSEWPUEY-UHFFFAOYSA-N
XLogP1.65
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-6-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 56930776
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylcyclopropyl)acetamide
CID 110711248
4-chloro-N-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]benzamide
CID 682122
N-ethyl-2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 42815196
N-[2-(2-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10528264
3-(2-hydroxyethyl)-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 3447830
2-(1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylphenyl)acetamide
CID 51286975
methyl 3-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)propanoate
CID 3873645
(2S)-3-[3-[(2S)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]propyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
CID 10093008
2-(1,3-dioxoisoindol-2-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 9051678
2-(2-oxo-2-thiophen-2-ylethyl)isoindole-1,3-dione
CID 7960051
2-(1,3-dioxoisoindol-2-yl)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108551988

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide (CID 56930780) is 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CSC1c1cccs1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is ZMJUDILSEWPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S2/c21-13(8-19-15(23)10-4-1-2-5-11(10)16(19)24)18-20-14(22)9-26-17(20)12-6-3-7-25-12/h1-7,17H,8-9H2,(H,18,21).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 56930780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).