N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide

C21H21N3O5S — CID 25042105

IUPACN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CC3)C2=O)cc1
InChIInChI=1S/C21H21N3O5S/c22-30(28,29)17-10-8-16(9-11-17)24-20(26)13-18(21(24)27)23(15-6-7-15)19(25)12-14-4-2-1-3-5-14/h1-5,8-11,15,18H,6-7,12-13H2,(H2,22,28,29)
InChIKeyVRWJBWYEUVPRQG-UHFFFAOYSA-N
MW427.48 g/mol
LogP1.20
Rot. Bonds6

About N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide

N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide (PubChem CID 25042105) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
PubChem CID25042105
Molecular FormulaC21H21N3O5S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
SMILESNS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CC3)C2=O)cc1
InChIInChI=1S/C21H21N3O5S/c22-30(28,29)17-10-8-16(9-11-17)24-20(26)13-18(21(24)27)23(15-6-7-15)19(25)12-14-4-2-1-3-5-14/h1-5,8-11,15,18H,6-7,12-13H2,(H2,22,28,29)
InChIKeyVRWJBWYEUVPRQG-UHFFFAOYSA-N
XLogP1.20
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 51.20
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-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
CID 25045748
N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 25049124
N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25045327
N-cyclopentyl-N-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenylacetamide
CID 23772971
ethyl 4-[3-[cyclopentyl-(2-phenylacetyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23943046
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25048847
N-(1-benzylpiperidin-4-yl)-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 25039679
N-cycloheptyl-N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenylacetamide
CID 23943049
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25037000
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-[1-(4-acetamidophenyl)-2,5-dioxopyrrolidin-3-yl]-2-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 25034733
N-benzyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-methylbenzamide
CID 25046463

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide (CID 25042105) is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide is NS(=O)(=O)c1ccc(N2C(=O)CC(N(C(=O)Cc3ccccc3)C3CC3)C2=O)cc1.
What is the InChIKey of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
The InChIKey is VRWJBWYEUVPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c22-30(28,29)17-10-8-16(9-11-17)24-20(26)13-18(21(24)27)23(15-6-7-15)19(25)12-14-4-2-1-3-5-14/h1-5,8-11,15,18H,6-7,12-13H2,(H2,22,28,29).
What are the key properties of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide?
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide has a molecular weight of 427.48 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 25042105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).