1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide

C22H27N3O4S — CID 16564341

IUPAC1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
InChIInChI=1S/C22H27N3O4S/c1-15-10-19(30(28,29)24(3)4)12-20(16(15)2)23-22(27)18-11-21(26)25(14-18)13-17-8-6-5-7-9-17/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,27)
InChIKeyJDABGFCWPMCIEU-UHFFFAOYSA-N
MW429.54 g/mol
LogP2.54
Rot. Bonds6

About 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 16564341) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID16564341
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
InChIInChI=1S/C22H27N3O4S/c1-15-10-19(30(28,29)24(3)4)12-20(16(15)2)23-22(27)18-11-21(26)25(14-18)13-17-8-6-5-7-9-17/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,27)
InChIKeyJDABGFCWPMCIEU-UHFFFAOYSA-N
XLogP2.54
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 55607249
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-N-[4-(dimethylsulfamoyl)phenyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9494959
1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 47078786
1-benzyl-N-(2-methyl-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17478737
1-benzyl-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42992516
1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
(3S)-1-benzyl-N-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2372506
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 16564341) is 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide is Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C.
What is the InChIKey of 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JDABGFCWPMCIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-15-10-19(30(28,29)24(3)4)12-20(16(15)2)23-22(27)18-11-21(26)25(14-18)13-17-8-6-5-7-9-17/h5-10,12,18H,11,13-14H2,1-4H3,(H,23,27).
What are the key properties of 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 16564341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).