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

C17H21N3O5S — CID 25045748

IUPACN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-2-3-15(21)19(11-4-5-11)14-10-16(22)20(17(14)23)12-6-8-13(9-7-12)26(18,24)25/h6-9,11,14H,2-5,10H2,1H3,(H2,18,24,25)
InChIKeyPOFBKYURMRPDGZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP0.76
Rot. Bonds6

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

N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide (PubChem CID 25045748) has the molecular formula C17H21N3O5S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
PubChem CID25045748
Molecular FormulaC17H21N3O5S
Molecular Weight379.44 g/mol
Exact Mass379.12
IUPAC NameN-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C17H21N3O5S/c1-2-3-15(21)19(11-4-5-11)14-10-16(22)20(17(14)23)12-6-8-13(9-7-12)26(18,24)25/h6-9,11,14H,2-5,10H2,1H3,(H2,18,24,25)
InChIKeyPOFBKYURMRPDGZ-UHFFFAOYSA-N
XLogP0.76
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 50.76
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]-2-phenylacetamide
CID 25042105
N-[1-(4-cyanophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23915154
N-[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-N-cyclopentylbutanamide
CID 23915156
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25037934
N-tert-butyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 25045753
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-fluorobenzamide
CID 25039846
N-cyclopentyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-4-methoxybenzamide
CID 25037158
N-[1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]-N-cyclopropylbutanamide
CID 23943070
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 25042291
N-cyclohexyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 25036355
N-cycloheptyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 25036502
N-cyclopropyl-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-3,3-dimethylbutanamide
CID 23830942

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide (CID 25045748) is N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide is CCCC(=O)N(C1CC1)C1CC(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide?
The InChIKey is POFBKYURMRPDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5S/c1-2-3-15(21)19(11-4-5-11)14-10-16(22)20(17(14)23)12-6-8-13(9-7-12)26(18,24)25/h6-9,11,14H,2-5,10H2,1H3,(H2,18,24,25).
What are the key properties of N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide?
N-cyclopropyl-N-[2,5-dioxo-1-(4-sulfamoylphenyl)pyrrolidin-3-yl]butanamide has a molecular weight of 379.44 g/mol, XLogP of 0.76, 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]butanamide is sourced from PubChem (CID 25045748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).