3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

C20H21N3O5S — CID 29358158

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C20H21N3O5S/c1-22(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(14-17)21-18(24)12-13-23-19(25)10-11-20(23)26/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyGKJNUWYQPDYCJZ-UHFFFAOYSA-N
MW415.47 g/mol
LogP1.99
Rot. Bonds7

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (PubChem CID 29358158) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
PubChem CID29358158
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1
InChIInChI=1S/C20H21N3O5S/c1-22(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(14-17)21-18(24)12-13-23-19(25)10-11-20(23)26/h2-9,14H,10-13H2,1H3,(H,21,24)
InChIKeyGKJNUWYQPDYCJZ-UHFFFAOYSA-N
XLogP1.99
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 51.99
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

2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 55304420
2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8930825
2-(3-methyl-2-oxo-1-pyridinyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 56510143
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 9467923
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] propanoate
CID 7851108
2-(2-ethoxyphenoxy)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 30601573
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(1-phenylcyclobutyl)amino]acetamide
CID 17392586
2-(2,4-dioxoquinazolin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 25437116
3-(1H-benzimidazol-2-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 46664877
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4785670

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide (CID 29358158) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CCN2C(=O)CCC2=O)c1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
The InChIKey is GKJNUWYQPDYCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-22(16-7-3-2-4-8-16)29(27,28)17-9-5-6-15(14-17)21-18(24)12-13-23-19(25)10-11-20(23)26/h2-9,14H,10-13H2,1H3,(H,21,24).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide has a molecular weight of 415.47 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 29358158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).