N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide

C20H24N2O6S — CID 16829587

IUPACN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CC(NS(=O)(=O)c3cc(OC)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-28-16-7-5-15(6-8-16)22-13-14(11-20(22)23)21-29(24,25)19-12-17(26-2)9-10-18(19)27-3/h5-10,12,14,21H,4,11,13H2,1-3H3
InChIKeyQMOZZTBFQPAWTH-UHFFFAOYSA-N
MW420.49 g/mol
LogP2.19
Rot. Bonds8

About N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide

N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 16829587) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
PubChem CID16829587
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC NameN-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
SMILESCCOc1ccc(N2CC(NS(=O)(=O)c3cc(OC)ccc3OC)CC2=O)cc1
InChIInChI=1S/C20H24N2O6S/c1-4-28-16-7-5-15(6-8-16)22-13-14(11-20(22)23)21-29(24,25)19-12-17(26-2)9-10-18(19)27-3/h5-10,12,14,21H,4,11,13H2,1-3H3
InChIKeyQMOZZTBFQPAWTH-UHFFFAOYSA-N
XLogP2.19
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide 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

N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 7255810
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,4-dimethoxybenzamide
CID 7548967
1-(2,4-dimethoxyphenyl)-3-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546480
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564660
N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40912055
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 43971073
methyl N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]carbamate
CID 43971090
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
3,4-dimethoxy-N-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzenesulfonamide
CID 7564535

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide (CID 16829587) is N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide is CCOc1ccc(N2CC(NS(=O)(=O)c3cc(OC)ccc3OC)CC2=O)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is QMOZZTBFQPAWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-4-28-16-7-5-15(6-8-16)22-13-14(11-20(22)23)21-29(24,25)19-12-17(26-2)9-10-18(19)27-3/h5-10,12,14,21H,4,11,13H2,1-3H3.
What are the key properties of N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 16829587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).