N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide

C15H21N3O4S — CID 51075115

IUPACN-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-16-15(20)12-5-7-13(8-6-12)23(21,22)17-9-3-11-18-10-2-4-14(18)19/h5-8,17H,2-4,9-11H2,1H3,(H,16,20)
InChIKeyHMHYEDYSZIHZOG-UHFFFAOYSA-N
MW339.42 g/mol
LogP0.34
Rot. Bonds7

About N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide

N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide (PubChem CID 51075115) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
PubChem CID51075115
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide
SMILESCNC(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1
InChIInChI=1S/C15H21N3O4S/c1-16-15(20)12-5-7-13(8-6-12)23(21,22)17-9-3-11-18-10-2-4-14(18)19/h5-8,17H,2-4,9-11H2,1H3,(H,16,20)
InChIKeyHMHYEDYSZIHZOG-UHFFFAOYSA-N
XLogP0.34
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,4-disulfonamide
CID 18227621
4-acetyl-N-[2-(2-oxoazepan-1-yl)ethyl]benzenesulfonamide
CID 39667448
4-butan-2-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 22204003
N-(4-methoxybutyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110610137
N-(4,4-dimethylpentyl)-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110611274
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
2-methyl-5-[3-(2-oxoazepan-1-yl)propylsulfamoyl]benzamide
CID 46457679
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482085
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
3-fluoro-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 2573541
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
4-[(4-methyl-3-nitrophenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25342302

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?
The IUPAC name of N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide (CID 51075115) is N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide.
What is the SMILES notation for N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?
The canonical SMILES for N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide is CNC(=O)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?
The InChIKey is HMHYEDYSZIHZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-16-15(20)12-5-7-13(8-6-12)23(21,22)17-9-3-11-18-10-2-4-14(18)19/h5-8,17H,2-4,9-11H2,1H3,(H,16,20).
What are the key properties of N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide?
N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide has a molecular weight of 339.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]benzamide is sourced from PubChem (CID 51075115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).