N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide

C17H22N2O5S2 — CID 113070411

IUPACN-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H22N2O5S2/c1-14-8-4-7-11-17(14)26(22,23)18-12-13-19(25(3,20)21)15-9-5-6-10-16(15)24-2/h4-11,18H,12-13H2,1-3H3
InChIKeyZDZVDJSJPRODBP-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.75
Rot. Bonds8

About N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide

N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide (PubChem CID 113070411) has the molecular formula C17H22N2O5S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
PubChem CID113070411
Molecular FormulaC17H22N2O5S2
Molecular Weight398.51 g/mol
Exact Mass398.10
IUPAC NameN-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccccc1N(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O
InChIInChI=1S/C17H22N2O5S2/c1-14-8-4-7-11-17(14)26(22,23)18-12-13-19(25(3,20)21)15-9-5-6-10-16(15)24-2/h4-11,18H,12-13H2,1-3H3
InChIKeyZDZVDJSJPRODBP-UHFFFAOYSA-N
XLogP1.75
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide 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-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide
CID 113069089
2-methyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068516
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
N-[2-[cyclopentyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065789
N-[2-[butyl(methylsulfonyl)amino]ethyl]-2-methylbenzenesulfonamide
CID 113065440
N-benzyl-N-(2-methoxyphenyl)methanesulfonamide
CID 6459309
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-(2-methoxyphenyl)acetamide
CID 113060525
N-tert-butyl-3-(2-methoxy-N-methylsulfonylanilino)propanamide
CID 113144500
N-(3-chloro-4-methoxyphenyl)-N-[2-[(2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113060265
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-(4-methylphenoxy)acetamide
CID 113070386

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide (CID 113070411) is N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide is COc1ccccc1N(CCNS(=O)(=O)c1ccccc1C)S(C)(=O)=O.
What is the InChIKey of N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is ZDZVDJSJPRODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5S2/c1-14-8-4-7-11-17(14)26(22,23)18-12-13-19(25(3,20)21)15-9-5-6-10-16(15)24-2/h4-11,18H,12-13H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide?
N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 398.51 g/mol, XLogP of 1.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-N-methylsulfonylanilino)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 113070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).