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

C20H21N3O5S — CID 55395964

IUPAC4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H21N3O5S/c1-13(16-3-2-4-17(11-16)29(21,27)28)22-20(26)15-7-5-14(6-8-15)12-23-18(24)9-10-19(23)25/h2-8,11,13H,9-10,12H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCGBFEBKJXOAFMS-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.47
Rot. Bonds6

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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (PubChem CID 55395964) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
PubChem CID55395964
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C20H21N3O5S/c1-13(16-3-2-4-17(11-16)29(21,27)28)22-20(26)15-7-5-14(6-8-15)12-23-18(24)9-10-19(23)25/h2-8,11,13H,9-10,12H2,1H3,(H,22,26)(H2,21,27,28)
InChIKeyCGBFEBKJXOAFMS-UHFFFAOYSA-N
XLogP1.47
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.47
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

4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 26008402
N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
CID 47009666
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide
CID 55637535
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 25496336
[2-oxo-2-(1-phenylethylamino)ethyl] 4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzoate
CID 18195697
N-[1-(3-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51213549
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
2-[(4-chlorophenyl)methylsulfanyl]-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 51213542
3-ethoxy-4-propoxy-N-[(1R)-1-(3-sulfamoylphenyl)ethyl]benzamide
CID 26011119
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 51881405

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide (CID 55395964) is 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is CC(NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is CGBFEBKJXOAFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-13(16-3-2-4-17(11-16)29(21,27)28)22-20(26)15-7-5-14(6-8-15)12-23-18(24)9-10-19(23)25/h2-8,11,13H,9-10,12H2,1H3,(H,22,26)(H2,21,27,28).
What are the key properties of 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide?
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 415.47 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 55395964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).