N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

C20H23N3O4S — CID 55616079

IUPACN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-21-28(26,27)14-16-9-7-15(8-10-16)12-22-20(25)17-11-19(24)23(13-17)18-5-3-2-4-6-18/h2-10,17,21H,11-14H2,1H3,(H,22,25)
InChIKeyWGVFZVOXACOCHJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.41
Rot. Bonds7

About N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (PubChem CID 55616079) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
PubChem CID55616079
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC NameN-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
SMILESCNS(=O)(=O)Cc1ccc(CNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1
InChIInChI=1S/C20H23N3O4S/c1-21-28(26,27)14-16-9-7-15(8-10-16)12-22-20(25)17-11-19(24)23(13-17)18-5-3-2-4-6-18/h2-10,17,21H,11-14H2,1H3,(H,22,25)
InChIKeyWGVFZVOXACOCHJ-UHFFFAOYSA-N
XLogP1.41
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methylphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55616189
N-benzyl-1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2872612
(3R)-N-benzyl-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 754074
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-benzyl-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 45491975
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3S)-N-[(2-methylphenyl)methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 40978837
(3S)-N-benzyl-1-[4-(dipropylsulfamoyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932453
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
(3R)-1-(3-acetamidophenyl)-N-benzyl-5-oxopyrrolidine-3-carboxamide
CID 92727126
(3R)-N-benzyl-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 124749019
N-[2-(methanesulfonamido)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651861

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide (CID 55616079) is N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is CNS(=O)(=O)Cc1ccc(CNC(=O)C2CC(=O)N(c3ccccc3)C2)cc1.
What is the InChIKey of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
The InChIKey is WGVFZVOXACOCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-21-28(26,27)14-16-9-7-15(8-10-16)12-22-20(25)17-11-19(24)23(13-17)18-5-3-2-4-6-18/h2-10,17,21H,11-14H2,1H3,(H,22,25).
What are the key properties of N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide?
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55616079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).