2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

C22H28N4O4S — CID 55434399

IUPAC2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(2)25-31(29,30)20-11-9-17(10-12-20)24-22(28)16(3)23-18-6-4-7-19(14-18)26-13-5-8-21(26)27/h4,6-7,9-12,14-16,23,25H,5,8,13H2,1-3H3,(H,24,28)
InChIKeyPGOIQEFZYHLZRZ-UHFFFAOYSA-N
MW444.56 g/mol
LogP2.94
Rot. Bonds8

About 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide

2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (PubChem CID 55434399) has the molecular formula C22H28N4O4S and a molecular weight of 444.56 g/mol. Its IUPAC name is 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
PubChem CID55434399
Molecular FormulaC22H28N4O4S
Molecular Weight444.56 g/mol
Exact Mass444.18
IUPAC Name2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1
InChIInChI=1S/C22H28N4O4S/c1-15(2)25-31(29,30)20-11-9-17(10-12-20)24-22(28)16(3)23-18-6-4-7-19(14-18)26-13-5-8-21(26)27/h4,6-7,9-12,14-16,23,25H,5,8,13H2,1-3H3,(H,24,28)
InChIKeyPGOIQEFZYHLZRZ-UHFFFAOYSA-N
XLogP2.94
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.56
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-nitrophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248679
N-(2,6-difluorophenyl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248705
(2R)-N-(3-methyl-1,2-oxazol-5-yl)-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 30572946
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
(2S)-N-(3-chlorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967271
N-[3-[[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 55571147
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
N'-[3-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-propan-2-ylphenyl)oxamide
CID 44901688
2-amino-N-[3-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 119290000
N-[(4-methylphenyl)methyl]-2-[3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 51248710
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The IUPAC name of 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide (CID 55434399) is 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C(C)Nc2cccc(N3CCCC3=O)c2)cc1.
What is the InChIKey of 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
The InChIKey is PGOIQEFZYHLZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S/c1-15(2)25-31(29,30)20-11-9-17(10-12-20)24-22(28)16(3)23-18-6-4-7-19(14-18)26-13-5-8-21(26)27/h4,6-7,9-12,14-16,23,25H,5,8,13H2,1-3H3,(H,24,28).
What are the key properties of 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide?
2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide has a molecular weight of 444.56 g/mol, XLogP of 2.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 55434399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).