1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione

C16H16N2O5S — CID 42560847

IUPAC1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cc(CN2C(=O)CCC2=O)c(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C16H16N2O5S/c1-9(19)11-6-10(7-17-13(20)2-3-14(17)21)12(24-11)8-18-15(22)4-5-16(18)23/h6H,2-5,7-8H2,1H3
InChIKeyDROSFTDXURLXHR-UHFFFAOYSA-N
MW348.38 g/mol
LogP1.25
Rot. Bonds5

About 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione

1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 42560847) has the molecular formula C16H16N2O5S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione
PubChem CID42560847
Molecular FormulaC16H16N2O5S
Molecular Weight348.38 g/mol
Exact Mass348.08
IUPAC Name1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(=O)c1cc(CN2C(=O)CCC2=O)c(CN2C(=O)CCC2=O)s1
InChIInChI=1S/C16H16N2O5S/c1-9(19)11-6-10(7-17-13(20)2-3-14(17)21)12(24-11)8-18-15(22)4-5-16(18)23/h6H,2-5,7-8H2,1H3
InChIKeyDROSFTDXURLXHR-UHFFFAOYSA-N
XLogP1.25
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione (CID 42560847) is 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione is CC(=O)c1cc(CN2C(=O)CCC2=O)c(CN2C(=O)CCC2=O)s1.
What is the InChIKey of 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DROSFTDXURLXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S/c1-9(19)11-6-10(7-17-13(20)2-3-14(17)21)12(24-11)8-18-15(22)4-5-16(18)23/h6H,2-5,7-8H2,1H3.
What are the key properties of 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione?
1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 348.38 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-acetyl-2-[(2,5-dioxopyrrolidin-1-yl)methyl]thiophen-3-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 42560847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).