2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

C16H19N3O6S — CID 2085548

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O6S/c20-14(11-19-15(21)5-6-16(19)22)17-12-1-3-13(4-2-12)26(23,24)18-7-9-25-10-8-18/h1-4H,5-11H2,(H,17,20)
InChIKeyIUPKFQFLWBHNLF-UHFFFAOYSA-N
MW381.41 g/mol
LogP-0.20
Rot. Bonds5

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (PubChem CID 2085548) has the molecular formula C16H19N3O6S and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
PubChem CID2085548
Molecular FormulaC16H19N3O6S
Molecular Weight381.41 g/mol
Exact Mass381.10
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
SMILESO=C(CN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H19N3O6S/c20-14(11-19-15(21)5-6-16(19)22)17-12-1-3-13(4-2-12)26(23,24)18-7-9-25-10-8-18/h1-4H,5-11H2,(H,17,20)
InChIKeyIUPKFQFLWBHNLF-UHFFFAOYSA-N
XLogP-0.20
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
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 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide (CID 2085548) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is O=C(CN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
The InChIKey is IUPKFQFLWBHNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O6S/c20-14(11-19-15(21)5-6-16(19)22)17-12-1-3-13(4-2-12)26(23,24)18-7-9-25-10-8-18/h1-4H,5-11H2,(H,17,20).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide has a molecular weight of 381.41 g/mol, XLogP of -0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 2085548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).