[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

C24H29N3O6S — CID 16517940

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1CC(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O
InChIInChI=1S/C24H29N3O6S/c1-5-17-8-6-7-9-20(17)27-14-18(12-23(27)29)24(30)33-15-22(28)25-19-11-10-16(2)21(13-19)34(31,32)26(3)4/h6-11,13,18H,5,12,14-15H2,1-4H3,(H,25,28)
InChIKeySIYRLFCKQRPXLQ-UHFFFAOYSA-N
MW487.58 g/mol
LogP2.34
Rot. Bonds8

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 16517940) has the molecular formula C24H29N3O6S and a molecular weight of 487.58 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID16517940
Molecular FormulaC24H29N3O6S
Molecular Weight487.58 g/mol
Exact Mass487.18
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCc1ccccc1N1CC(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O
InChIInChI=1S/C24H29N3O6S/c1-5-17-8-6-7-9-20(17)27-14-18(12-23(27)29)24(30)33-15-22(28)25-19-11-10-16(2)21(13-19)34(31,32)26(3)4/h6-11,13,18H,5,12,14-15H2,1-4H3,(H,25,28)
InChIKeySIYRLFCKQRPXLQ-UHFFFAOYSA-N
XLogP2.34
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466582
[2-(4-fluoroanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466545
[2-(3-cyanoanilino)-2-oxoethyl] (3S)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7799007
[2-(2-methylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7466529
[2-(4-methoxycarbonylanilino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42016901
[2-(3-chloro-4-methylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126143636
[2-(methylamino)-2-oxoethyl] (3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7798822
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] (3R)-1-[2-[(2R)-butan-2-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 7908542
[2-(3-acetylanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9171068
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7830381
[2-(4-methoxyanilino)-2-oxoethyl] (3S)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 126152620
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946595

Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate (CID 16517940) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is CCc1ccccc1N1CC(C(=O)OCC(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1=O.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is SIYRLFCKQRPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S/c1-5-17-8-6-7-9-20(17)27-14-18(12-23(27)29)24(30)33-15-22(28)25-19-11-10-16(2)21(13-19)34(31,32)26(3)4/h6-11,13,18H,5,12,14-15H2,1-4H3,(H,25,28).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 487.58 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 1-(2-ethylphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 16517940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).