N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H31N3O6S — CID 43059439

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)ccc1C
InChIInChI=1S/C24H31N3O6S/c1-6-26(7-2)34(30,31)22-13-18(9-8-16(22)3)25-24(29)17-12-23(28)27(15-17)20-14-19(32-4)10-11-21(20)33-5/h8-11,13-14,17H,6-7,12,15H2,1-5H3,(H,25,29)
InChIKeyZZFYOOXEHIWKTO-UHFFFAOYSA-N
MW489.59 g/mol
LogP3.03
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 43059439) has the molecular formula C24H31N3O6S and a molecular weight of 489.59 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID43059439
Molecular FormulaC24H31N3O6S
Molecular Weight489.59 g/mol
Exact Mass489.19
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)ccc1C
InChIInChI=1S/C24H31N3O6S/c1-6-26(7-2)34(30,31)22-13-18(9-8-16(22)3)25-24(29)17-12-23(28)27(15-17)20-14-19(32-4)10-11-21(20)33-5/h8-11,13-14,17H,6-7,12,15H2,1-5H3,(H,25,29)
InChIKeyZZFYOOXEHIWKTO-UHFFFAOYSA-N
XLogP3.03
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.59
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(4-bromo-3-methylphenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40932432
(3R)-1-(2,5-dimethoxyphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 8550882
(3S)-N-(3,4-dichlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394737
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267
dimethyl 5-[[1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzene-1,3-dicarboxylate
CID 17187473
(3R)-1-[2-[(2R)-butan-2-yl]phenyl]-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 98399133
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
1-(2,5-dimethoxyphenyl)-N-[3-(2,2-dimethylpropanoylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 55575698
N-(3-chlorophenyl)-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188478
(3S)-1-(2,5-dimethoxyphenyl)-N-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94022838
1-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586094
(3R)-N-tert-butyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394386

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 43059439) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC(=O)N(c3cc(OC)ccc3OC)C2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZZFYOOXEHIWKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6S/c1-6-26(7-2)34(30,31)22-13-18(9-8-16(22)3)25-24(29)17-12-23(28)27(15-17)20-14-19(32-4)10-11-21(20)33-5/h8-11,13-14,17H,6-7,12,15H2,1-5H3,(H,25,29).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 489.59 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43059439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).