N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C27H25FN4O6S — CID 25049291

IUPACN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C27H25FN4O6S/c1-17(33)30-19-8-10-20(11-9-19)32-25(34)16-24(27(32)36)31(26(35)22-4-2-3-5-23(22)28)15-14-18-6-12-21(13-7-18)39(29,37)38/h2-13,24H,14-16H2,1H3,(H,30,33)(H2,29,37,38)
InChIKeyRPNUEDCVARGARP-UHFFFAOYSA-N
MW552.58 g/mol
LogP2.45
Rot. Bonds8

About N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 25049291) has the molecular formula C27H25FN4O6S and a molecular weight of 552.58 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID25049291
Molecular FormulaC27H25FN4O6S
Molecular Weight552.58 g/mol
Exact Mass552.15
IUPAC NameN-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCC(=O)Nc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C27H25FN4O6S/c1-17(33)30-19-8-10-20(11-9-19)32-25(34)16-24(27(32)36)31(26(35)22-4-2-3-5-23(22)28)15-14-18-6-12-21(13-7-18)39(29,37)38/h2-13,24H,14-16H2,1H3,(H,30,33)(H2,29,37,38)
InChIKeyRPNUEDCVARGARP-UHFFFAOYSA-N
XLogP2.45
TPSA146.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.58
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
CID 25043381
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-[(4-fluorophenyl)methyl]benzamide
CID 25043380
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-3-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25046459
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-sulfamoylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 25039650
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 23888503
N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048835
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
CID 25046463
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25037176
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25045327
3-ethyl-1-[(3R)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 2273391
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]-2-methylbenzamide
CID 23803578

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 25049291) is N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is CC(=O)Nc1ccc(N2C(=O)CC(N(CCc3ccc(S(N)(=O)=O)cc3)C(=O)c3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is RPNUEDCVARGARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O6S/c1-17(33)30-19-8-10-20(11-9-19)32-25(34)16-24(27(32)36)31(26(35)22-4-2-3-5-23(22)28)15-14-18-6-12-21(13-7-18)39(29,37)38/h2-13,24H,14-16H2,1H3,(H,30,33)(H2,29,37,38).
What are the key properties of N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 552.58 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 25049291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).