N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide

C21H25N3O4S — CID 16919361

IUPACN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-10-8-18(9-11-19)21(26)22-13-17-12-20(25)24(15-17)14-16-6-4-3-5-7-16/h3-11,17H,12-15H2,1-2H3,(H,22,26)
InChIKeyFQCUVVJVLDHYFZ-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.72
Rot. Bonds7

About N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide (PubChem CID 16919361) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
PubChem CID16919361
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC NameN-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1
InChIInChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-10-8-18(9-11-19)21(26)22-13-17-12-20(25)24(15-17)14-16-6-4-3-5-7-16/h3-11,17H,12-15H2,1-2H3,(H,22,26)
InChIKeyFQCUVVJVLDHYFZ-UHFFFAOYSA-N
XLogP1.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-methylbenzamide
CID 16919275
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4-methoxybenzamide
CID 40898594
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16919321
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 16919284
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 16919346
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 110640106
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16919255
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]cyclopropanecarboxamide
CID 16919256
N-[[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-4,5-dimethylthiophene-2-carboxamide
CID 97060537
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,4-dihydroxybenzamide
CID 124614944
benzyl N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]carbamate
CID 16919390

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide (CID 16919361) is N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC2CC(=O)N(Cc3ccccc3)C2)cc1.
What is the InChIKey of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide?
The InChIKey is FQCUVVJVLDHYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-10-8-18(9-11-19)21(26)22-13-17-12-20(25)24(15-17)14-16-6-4-3-5-7-16/h3-11,17H,12-15H2,1-2H3,(H,22,26).
What are the key properties of N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide?
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide has a molecular weight of 415.52 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 16919361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).