N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide

C13H11N3O5S — CID 59765308

IUPACN-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O5S/c1-5(17)14-11-9-6(4-22-11)12(20)16(13(9)21)7-2-3-8(18)15-10(7)19/h4,7H,2-3H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyDFPJCALVTGGTCD-UHFFFAOYSA-N
MW321.31 g/mol
LogP0.11
Rot. Bonds2

About N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide

N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide (PubChem CID 59765308) has the molecular formula C13H11N3O5S and a molecular weight of 321.31 g/mol. Its IUPAC name is N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
PubChem CID59765308
Molecular FormulaC13H11N3O5S
Molecular Weight321.31 g/mol
Exact Mass321.04
IUPAC NameN-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
SMILESCC(=O)Nc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C13H11N3O5S/c1-5(17)14-11-9-6(4-22-11)12(20)16(13(9)21)7-2-3-8(18)15-10(7)19/h4,7H,2-3H2,1H3,(H,14,17)(H,15,18,19)
InChIKeyDFPJCALVTGGTCD-UHFFFAOYSA-N
XLogP0.11
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]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-acetamido-N-(2,6-dioxopiperidin-3-yl)thiophene-3-carboxamide
CID 156408625
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
CID 66751453
N-[5-[(3S)-3-fluoro-2,6-dioxopiperidin-3-yl]-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]acetamide
CID 66751461
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(hydroxymethyl)piperidine-2,6-dione
CID 66751466
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751468
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751480
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-methylpiperidine-2,6-dione
CID 66751494
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-1-ethyl-3-fluoropiperidine-2,6-dione
CID 66751578
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-propylpiperidine-2,6-dione
CID 66751584
(3S)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(hydroxymethyl)piperidine-2,6-dione
CID 66751598
3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoro-1-(2-methoxyethyl)piperidine-2,6-dione
CID 66751611
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-fluoropiperidine-2,6-dione
CID 66751621

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide?
The IUPAC name of N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide (CID 59765308) is N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide.
What is the SMILES notation for N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide?
The canonical SMILES for N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide is CC(=O)Nc1scc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide?
The InChIKey is DFPJCALVTGGTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S/c1-5(17)14-11-9-6(4-22-11)12(20)16(13(9)21)7-2-3-8(18)15-10(7)19/h4,7H,2-3H2,1H3,(H,14,17)(H,15,18,19).
What are the key properties of N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide?
N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide has a molecular weight of 321.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dioxopiperidin-3-yl)-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide is sourced from PubChem (CID 59765308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).