N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C25H25N3O5S — CID 46465356

IUPACN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)CC2=O)cc1
InChIInChI=1S/C25H25N3O5S/c1-17-8-9-19(15-23(17)27-34(31,32)22-6-4-3-5-7-22)26-25(30)18-14-24(29)28(16-18)20-10-12-21(33-2)13-11-20/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30)
InChIKeyRJSCATBGKLYWOT-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.80
Rot. Bonds7

About N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46465356) has the molecular formula C25H25N3O5S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46465356
Molecular FormulaC25H25N3O5S
Molecular Weight479.56 g/mol
Exact Mass479.15
IUPAC NameN-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)CC2=O)cc1
InChIInChI=1S/C25H25N3O5S/c1-17-8-9-19(15-23(17)27-34(31,32)22-6-4-3-5-7-22)26-25(30)18-14-24(29)28(16-18)20-10-12-21(33-2)13-11-20/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30)
InChIKeyRJSCATBGKLYWOT-UHFFFAOYSA-N
XLogP3.80
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30873940
(3R)-N-(3-chloro-4-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7316360
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(4-acetamido-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46578612
(3S)-1-(4-methoxyphenyl)-5-oxo-N-(4-phenoxyphenyl)pyrrolidine-3-carboxamide
CID 40666345
(3S)-N-(4-bromo-3-methylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 35504330
1-(4-methoxyphenyl)-5-oxo-N-[4-(propylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 17321737
(3R)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 1154558
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3R)-1-(3-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 40932410
(3S)-1-(4-methoxyphenyl)-N-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004968
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785629

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46465356) is N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3ccc(C)c(NS(=O)(=O)c4ccccc4)c3)CC2=O)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RJSCATBGKLYWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5S/c1-17-8-9-19(15-23(17)27-34(31,32)22-6-4-3-5-7-22)26-25(30)18-14-24(29)28(16-18)20-10-12-21(33-2)13-11-20/h3-13,15,18,27H,14,16H2,1-2H3,(H,26,30).
What are the key properties of N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-methylphenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46465356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).