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

C21H25N3O4S — CID 100626204

IUPAC3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-6-3-5-18(13-19)21(26)22-14-16-8-10-17(11-9-16)15-24-12-4-7-20(24)25/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,22,26)
InChIKeyDOQMDVZTYKKZNL-UHFFFAOYSA-N
MW415.52 g/mol
LogP1.99
Rot. Bonds7

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

3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (PubChem CID 100626204) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
PubChem CID100626204
Molecular FormulaC21H25N3O4S
Molecular Weight415.52 g/mol
Exact Mass415.16
IUPAC Name3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1
InChIInChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-6-3-5-18(13-19)21(26)22-14-16-8-10-17(11-9-16)15-24-12-4-7-20(24)25/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,22,26)
InChIKeyDOQMDVZTYKKZNL-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide;hydrochloride
CID 119716935
3-[methoxy(methyl)sulfamoyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589604
3,4-dimethyl-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 96545359
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-methylsulfonylbenzamide
CID 55846283
4-(aminomethyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119285773
3-[methyl(phenyl)sulfamoyl]-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]benzamide
CID 46599993
3-(diethylsulfamoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17485125
[4-[[[3-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8947695
4-(dimethylsulfamoyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588864
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9036253
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 17427985
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide (CID 100626204) is 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(CN3CCCC3=O)cc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
The InChIKey is DOQMDVZTYKKZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-23(2)29(27,28)19-6-3-5-18(13-19)21(26)22-14-16-8-10-17(11-9-16)15-24-12-4-7-20(24)25/h3,5-6,8-11,13H,4,7,12,14-15H2,1-2H3,(H,22,26).
What are the key properties of 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide?
3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide has a molecular weight of 415.52 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]benzamide is sourced from PubChem (CID 100626204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).