2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C19H25N3O6S — CID 9006752

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O6S/c1-2-28-16-7-6-14(29(26,27)21-10-4-3-5-11-21)12-15(16)20-17(23)13-22-18(24)8-9-19(22)25/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,23)
InChIKeyQGXIOPZGQBBBKT-UHFFFAOYSA-N
MW423.49 g/mol
LogP1.35
Rot. Bonds7

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 9006752) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID9006752
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O
InChIInChI=1S/C19H25N3O6S/c1-2-28-16-7-6-14(29(26,27)21-10-4-3-5-11-21)12-15(16)20-17(23)13-22-18(24)8-9-19(22)25/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,23)
InChIKeyQGXIOPZGQBBBKT-UHFFFAOYSA-N
XLogP1.35
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.35
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-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26265747
4-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 4844189
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3,5-dimethylbenzamide
CID 7761104
trans-(1R,2R)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-methylcyclopropane-1-carboxamide
CID 8892125
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55840123
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 31911227
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
methyl 4-[(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)carbamoyl]benzoate
CID 26265691

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 9006752) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is QGXIOPZGQBBBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-2-28-16-7-6-14(29(26,27)21-10-4-3-5-11-21)12-15(16)20-17(23)13-22-18(24)8-9-19(22)25/h6-7,12H,2-5,8-11,13H2,1H3,(H,20,23).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 423.49 g/mol, XLogP of 1.35, 7 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-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 9006752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).