1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

C22H27N3O4S — CID 47078786

IUPAC1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
InChIInChI=1S/C22H27N3O4S/c1-3-12-30(28,29)24-20-11-7-10-19(16(20)2)23-22(27)18-13-21(26)25(15-18)14-17-8-5-4-6-9-17/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyVNOSYWNNWVVYDB-UHFFFAOYSA-N
MW429.54 g/mol
LogP3.13
Rot. Bonds8

About 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 47078786) has the molecular formula C22H27N3O4S and a molecular weight of 429.54 g/mol. Its IUPAC name is 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID47078786
Molecular FormulaC22H27N3O4S
Molecular Weight429.54 g/mol
Exact Mass429.17
IUPAC Name1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCCS(=O)(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C
InChIInChI=1S/C22H27N3O4S/c1-3-12-30(28,29)24-20-11-7-10-19(16(20)2)23-22(27)18-13-21(26)25(15-18)14-17-8-5-4-6-9-17/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,27)
InChIKeyVNOSYWNNWVVYDB-UHFFFAOYSA-N
XLogP3.13
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2-tert-butylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17396518
methyl 2-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 41118744
1-benzyl-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 16564341
N-(2-benzylphenyl)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 42904791
1-benzyl-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24979026
(3S)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502393
(3R)-1-benzyl-N-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502392
1-benzyl-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 16545680
(3S)-1-[(4-fluorophenyl)methyl]-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35767596
(3S)-1-benzyl-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 29137132
(3R)-1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40625044
1-benzyl-N-[2,6-di(propan-2-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 18079780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide (CID 47078786) is 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is CCCS(=O)(=O)Nc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1C.
What is the InChIKey of 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VNOSYWNNWVVYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4S/c1-3-12-30(28,29)24-20-11-7-10-19(16(20)2)23-22(27)18-13-21(26)25(15-18)14-17-8-5-4-6-9-17/h4-11,18,24H,3,12-15H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 429.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-methyl-3-(propylsulfonylamino)phenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 47078786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).