N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C26H24FN3O5S — CID 25045327

IUPACN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(C(=O)Cc2ccccc2)C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C26H24FN3O5S/c27-20-8-10-21(11-9-20)30-25(32)17-23(26(30)33)29(24(31)16-19-4-2-1-3-5-19)15-14-18-6-12-22(13-7-18)36(28,34)35/h1-13,23H,14-17H2,(H2,28,34,35)
InChIKeyRFUBOZKJBMSLPU-UHFFFAOYSA-N
MW509.56 g/mol
LogP2.42
Rot. Bonds8

About N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 25045327) has the molecular formula C26H24FN3O5S and a molecular weight of 509.56 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID25045327
Molecular FormulaC26H24FN3O5S
Molecular Weight509.56 g/mol
Exact Mass509.14
IUPAC NameN-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCN(C(=O)Cc2ccccc2)C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C26H24FN3O5S/c27-20-8-10-21(11-9-20)30-25(32)17-23(26(30)33)29(24(31)16-19-4-2-1-3-5-19)15-14-18-6-12-22(13-7-18)36(28,34)35/h1-13,23H,14-17H2,(H2,28,34,35)
InChIKeyRFUBOZKJBMSLPU-UHFFFAOYSA-N
XLogP2.42
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048847
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25037000
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25034733
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)acetamide
CID 23998801
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-phenylacetamide
CID 23971007
4-[[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)amino]-4-oxobutanoic acid
CID 7013740
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25037176
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 25049124
3-ethyl-1-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 2273391
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 25043380
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 25042105

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 25045327) is N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCN(C(=O)Cc2ccccc2)C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RFUBOZKJBMSLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O5S/c27-20-8-10-21(11-9-20)30-25(32)17-23(26(30)33)29(24(31)16-19-4-2-1-3-5-19)15-14-18-6-12-22(13-7-18)36(28,34)35/h1-13,23H,14-17H2,(H2,28,34,35).
What are the key properties of N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 509.56 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 25045327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).