N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide

C25H22FN3O5S — CID 25043381

IUPACN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H22FN3O5S/c26-21-9-5-4-8-20(21)24(31)28(15-14-17-6-2-1-3-7-17)22-16-23(30)29(25(22)32)18-10-12-19(13-11-18)35(27,33)34/h1-13,22H,14-16H2,(H2,27,33,34)
InChIKeyPYWQXAPLAMSTKW-UHFFFAOYSA-N
MW495.53 g/mol
LogP2.49
Rot. Bonds7

About N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide

N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide (PubChem CID 25043381) has the molecular formula C25H22FN3O5S and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
PubChem CID25043381
Molecular FormulaC25H22FN3O5S
Molecular Weight495.53 g/mol
Exact Mass495.13
IUPAC NameN-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3F)C2=O)cc1
InChIInChI=1S/C25H22FN3O5S/c26-21-9-5-4-8-20(21)24(31)28(15-14-17-6-2-1-3-7-17)22-16-23(30)29(25(22)32)18-10-12-19(13-11-18)35(27,33)34/h1-13,22H,14-16H2,(H2,27,33,34)
InChIKeyPYWQXAPLAMSTKW-UHFFFAOYSA-N
XLogP2.49
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 52.49
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-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluoro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25049291
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 25043380
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]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25045327
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048847
N-benzyl-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-fluorobenzamide
CID 23944461
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-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 25037176
N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048835
(E)-4-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-sulfamoylphenyl)ethyl]amino]-4-oxobut-2-enoic acid
CID 27915967
N-[2-(3-chlorophenyl)ethyl]-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methylbenzamide
CID 25046468

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide?
The IUPAC name of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide (CID 25043381) is N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(CCc3ccccc3)C(=O)c3ccccc3F)C2=O)cc1.
What is the InChIKey of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide?
The InChIKey is PYWQXAPLAMSTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O5S/c26-21-9-5-4-8-20(21)24(31)28(15-14-17-6-2-1-3-7-17)22-16-23(30)29(25(22)32)18-10-12-19(13-11-18)35(27,33)34/h1-13,22H,14-16H2,(H2,27,33,34).
What are the key properties of N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide?
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide has a molecular weight of 495.53 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-fluoro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 25043381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).