N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide

C17H21NO4S — CID 113101853

IUPACN-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1OCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO4S/c1-13-4-7-15(8-5-13)23(19,20)18-10-11-22-16-9-6-14(2)12-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyDVDLAHVBFQMPRY-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.67
Rot. Bonds7

About N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide (PubChem CID 113101853) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
PubChem CID113101853
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC NameN-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
SMILESCOc1cc(C)ccc1OCCNS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H21NO4S/c1-13-4-7-15(8-5-13)23(19,20)18-10-11-22-16-9-6-14(2)12-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3
InChIKeyDVDLAHVBFQMPRY-UHFFFAOYSA-N
XLogP2.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
4-amino-N-[2-(2,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 9157900
4-tert-butyl-N-[2-(2,4-dimethylphenoxy)ethyl]benzenesulfonamide
CID 113100923
methyl 5-[2-(2,4-dimethylphenoxy)ethylsulfamoyl]-2-methylbenzoate
CID 100558556
2-methoxy-4-methyl-1-(2-methylsulfonylethoxy)benzene
CID 58551430
2-[(4-methylphenyl)sulfonylamino]ethyl sulfamate
CID 101414812
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
N-[2-(4-chloro-2-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102633

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide (CID 113101853) is N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide is COc1cc(C)ccc1OCCNS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is DVDLAHVBFQMPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-13-4-7-15(8-5-13)23(19,20)18-10-11-22-16-9-6-14(2)12-17(16)21-3/h4-9,12,18H,10-11H2,1-3H3.
What are the key properties of N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide?
N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113101853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).