N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide

C17H21NO3S — CID 20769897

IUPACN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3
InChIKeyLVIZXFACOGWVCM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds6

About N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide

N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide (PubChem CID 20769897) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
PubChem CID20769897
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3
InChIKeyLVIZXFACOGWVCM-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide 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-methyl-1-octoxy-4-phenylbenzene
CID 23393452
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
[3,5-bis[[2-[2-[methyl(methylsulfonyl)amino]ethoxy]-5-(2-phenylethynyl)benzoyl]oxy]phenyl] 2-[2-[methyl(methylsulfonyl)amino]ethoxy]-5-(2-phenylethynyl)benzoate
CID 20769804
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 19260129
N-(2-benzhydryloxyethyl)-N-methylmethanesulfonamide
CID 75501883
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544444
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544462
1-(isothiocyanatomethoxy)-2-methyl-4-phenylbenzene
CID 21388084
4-(2-methoxyethoxy)-N-[(2-methoxyphenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 55639103
2-[4-[4-[4-(2-hydroxyethoxy)-3-methylphenyl]phenyl]phenoxy]ethanol
CID 67511777
2-[2-methyl-4-(3-methylphenyl)phenoxy]ethanamine
CID 163408322

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide (CID 20769897) is N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide is Cc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The InChIKey is LVIZXFACOGWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 20769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).