2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

C17H13Cl2N3O4S — CID 28594191

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H13Cl2N3O4S/c18-12-6-10-11(7-13(12)19)16(25)22(15(10)24)8-14(23)21-17(26)20-4-3-9-2-1-5-27-9/h1-2,5-7H,3-4,8H2,(H2,20,21,23,26)
InChIKeyAYLOMSWFDJJAED-UHFFFAOYSA-N
MW426.28 g/mol
LogP2.72
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (PubChem CID 28594191) has the molecular formula C17H13Cl2N3O4S and a molecular weight of 426.28 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
PubChem CID28594191
Molecular FormulaC17H13Cl2N3O4S
Molecular Weight426.28 g/mol
Exact Mass425.00
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NCCc1cccs1
InChIInChI=1S/C17H13Cl2N3O4S/c18-12-6-10-11(7-13(12)19)16(25)22(15(10)24)8-14(23)21-17(26)20-4-3-9-2-1-5-27-9/h1-2,5-7H,3-4,8H2,(H2,20,21,23,26)
InChIKeyAYLOMSWFDJJAED-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 2708445
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46821409
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(2,6-dimethylmorpholin-4-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 51202772
2-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 95981495
2-[4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 24520490
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethyl)butanamide
CID 27770336
2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 55384387
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 2649006
2-hydroxy-N-(2-thiophen-2-ylethyl)acetamide
CID 13454159
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46822072
2-(4-acetyl-1,4-diazepan-1-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 27133290

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide (CID 28594191) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)NC(=O)NCCc1cccs1.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
The InChIKey is AYLOMSWFDJJAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O4S/c18-12-6-10-11(7-13(12)19)16(25)22(15(10)24)8-14(23)21-17(26)20-4-3-9-2-1-5-27-9/h1-2,5-7H,3-4,8H2,(H2,20,21,23,26).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide has a molecular weight of 426.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(2-thiophen-2-ylethylcarbamoyl)acetamide is sourced from PubChem (CID 28594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).