N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide

C26H24BrN3O5S — CID 23970660

IUPACN-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C26H24BrN3O5S/c1-18(31)28-21-9-13-23(14-10-21)36(34,35)29(16-15-19-5-3-2-4-6-19)24-17-25(32)30(26(24)33)22-11-7-20(27)8-12-22/h2-14,24H,15-17H2,1H3,(H,28,31)
InChIKeyULODGVQKBPEKMB-UHFFFAOYSA-N
MW570.47 g/mol
LogP3.97
Rot. Bonds8

About N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide

N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide (PubChem CID 23970660) has the molecular formula C26H24BrN3O5S and a molecular weight of 570.47 g/mol. Its IUPAC name is N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide
PubChem CID23970660
Molecular FormulaC26H24BrN3O5S
Molecular Weight570.47 g/mol
Exact Mass569.06
IUPAC NameN-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1
InChIInChI=1S/C26H24BrN3O5S/c1-18(31)28-21-9-13-23(14-10-21)36(34,35)29(16-15-19-5-3-2-4-6-19)24-17-25(32)30(26(24)33)22-11-7-20(27)8-12-22/h2-14,24H,15-17H2,1H3,(H,28,31)
InChIKeyULODGVQKBPEKMB-UHFFFAOYSA-N
XLogP3.97
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.47
LogP ≤ 53.97
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

methyl 4-[3-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23998527
N-[4-[benzyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfamoyl]phenyl]acetamide
CID 23970681
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-sulfamoylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 25039650
4-fluoro-N-[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-phenylethyl)benzenesulfonamide
CID 23998649
N-[4-[3-[2-(3,4-dimethoxyphenyl)ethyl-(4-fluorophenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743594
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 23859022
N-[4-[3-[(4-acetamidophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23830681
4-bromo-N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 23942833
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25034733
[4-[3-[benzenesulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 25038310
4-[3-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 25037912
N-[4-[[1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-prop-2-enylsulfamoyl]phenyl]acetamide
CID 23886878

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide (CID 23970660) is N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)C2CC(=O)N(c3ccc(Br)cc3)C2=O)cc1.
What is the InChIKey of N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide?
The InChIKey is ULODGVQKBPEKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O5S/c1-18(31)28-21-9-13-23(14-10-21)36(34,35)29(16-15-19-5-3-2-4-6-19)24-17-25(32)30(26(24)33)22-11-7-20(27)8-12-22/h2-14,24H,15-17H2,1H3,(H,28,31).
What are the key properties of N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide?
N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide has a molecular weight of 570.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 23970660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).