3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide

C15H16F3N3O5S — CID 9474869

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O5S/c16-15(17,18)9-19-27(25,26)11-3-1-10(2-4-11)20-12(22)7-8-21-13(23)5-6-14(21)24/h1-4,19H,5-9H2,(H,20,22)
InChIKeyZOYGCOARSDFOCQ-UHFFFAOYSA-N
MW407.37 g/mol
LogP1.00
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (PubChem CID 9474869) has the molecular formula C15H16F3N3O5S and a molecular weight of 407.37 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
PubChem CID9474869
Molecular FormulaC15H16F3N3O5S
Molecular Weight407.37 g/mol
Exact Mass407.08
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3O5S/c16-15(17,18)9-19-27(25,26)11-3-1-10(2-4-11)20-12(22)7-8-21-13(23)5-6-14(21)24/h1-4,19H,5-9H2,(H,20,22)
InChIKeyZOYGCOARSDFOCQ-UHFFFAOYSA-N
XLogP1.00
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9474741
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide (CID 9474869) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
The InChIKey is ZOYGCOARSDFOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O5S/c16-15(17,18)9-19-27(25,26)11-3-1-10(2-4-11)20-12(22)7-8-21-13(23)5-6-14(21)24/h1-4,19H,5-9H2,(H,20,22).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide has a molecular weight of 407.37 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 9474869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).