N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C20H24N2O4S — CID 2174334

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-5-8-18(14-16(15)2)26-13-11-21-27(24,25)19-9-6-17(7-10-19)22-12-3-4-20(22)23/h5-10,14,21H,3-4,11-13H2,1-2H3
InChIKeyBRZWLWOQTIGXLS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.79
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 2174334) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID2174334
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C20H24N2O4S/c1-15-5-8-18(14-16(15)2)26-13-11-21-27(24,25)19-9-6-17(7-10-19)22-12-3-4-20(22)23/h5-10,14,21H,3-4,11-13H2,1-2H3
InChIKeyBRZWLWOQTIGXLS-UHFFFAOYSA-N
XLogP2.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)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

N-[2-(4-tert-butylphenoxy)ethyl]-2,6-dimethyl-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide
CID 1811199
4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811239
2,6-dimethyl-4-(2-oxo-1-pyrrolidinyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 1811245
N-(4-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 16422713
N-(2-methoxybenzyl)-1-((4-(2-oxopyrrolidin-1-yl)phenyl)sulfonyl)piperidine-4-carboxamide
CID 17585910
2-(3-methylphenoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1144627
2-(4-ethylphenoxy)-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide
CID 1014119
(2E)-3-(4-methoxyphenyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]prop-2-enamide
CID 1108165
N-(4-pyrrolidin-1-ylsulfonylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 1245459
4-(4-methylphenoxy)-N-(4-sulfamoylphenyl)butanamide
CID 1564898
N-[4-(aminosulfonyl)phenyl]-4-(4-tert-butylphenoxy)butanamide
CID 1565045
4-(3-methylphenoxy)-N-(4-sulfamoylphenyl)butanamide
CID 1565291

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 2174334) is N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is BRZWLWOQTIGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-15-5-8-18(14-16(15)2)26-13-11-21-27(24,25)19-9-6-17(7-10-19)22-12-3-4-20(22)23/h5-10,14,21H,3-4,11-13H2,1-2H3.
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 388.49 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 2174334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).