N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide

C26H33N3O5S — CID 55843878

IUPACN-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c2)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-5-10-23(35(32,33)27-21-6-8-22(34-2)9-7-21)18-24(19)26(31)29-15-11-20(12-16-29)17-25(30)28-13-3-4-14-28/h5-10,18,20,27H,3-4,11-17H2,1-2H3
InChIKeyOXASVZKTGLDXSM-UHFFFAOYSA-N
MW499.63 g/mol
LogP3.67
Rot. Bonds7

About N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide

N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide (PubChem CID 55843878) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
PubChem CID55843878
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c2)cc1
InChIInChI=1S/C26H33N3O5S/c1-19-5-10-23(35(32,33)27-21-6-8-22(34-2)9-7-21)18-24(19)26(31)29-15-11-20(12-16-29)17-25(30)28-13-3-4-14-28/h5-10,18,20,27H,3-4,11-17H2,1-2H3
InChIKeyOXASVZKTGLDXSM-UHFFFAOYSA-N
XLogP3.67
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide 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

3-(3-ethylpiperidine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55654984
3-(4-acetylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 55347584
N-(4-ethoxyphenyl)-4-methyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 27670419
3-[4-[(S)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 25350794
3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 43009938
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
3-(4-acetylpiperazine-1-carbonyl)-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42992454
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
N-(4-methoxyphenyl)-4-methyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55349268
N-ethyl-3-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55955544
N-(4-ethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4-methylbenzenesulfonamide
CID 66580313
tert-butyl N-[1-[2-methyl-5-[(4-methylphenyl)sulfamoyl]benzoyl]piperidin-4-yl]carbamate
CID 55736685

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide (CID 55843878) is N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide is COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide?
The InChIKey is OXASVZKTGLDXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-19-5-10-23(35(32,33)27-21-6-8-22(34-2)9-7-21)18-24(19)26(31)29-15-11-20(12-16-29)17-25(30)28-13-3-4-14-28/h5-10,18,20,27H,3-4,11-17H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide?
N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide has a molecular weight of 499.63 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55843878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).