4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide

C19H25NO4S — CID 113101166

IUPAC4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)cc1C
InChIInChI=1S/C19H25NO4S/c1-13-6-7-14(2)19(16(13)4)24-11-10-20-25(21,22)17-8-9-18(23-5)15(3)12-17/h6-9,12,20H,10-11H2,1-5H3
InChIKeyLZZFQSAIYIPOCM-UHFFFAOYSA-N
MW363.48 g/mol
LogP3.29
Rot. Bonds7

About 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide (PubChem CID 113101166) has the molecular formula C19H25NO4S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
PubChem CID113101166
Molecular FormulaC19H25NO4S
Molecular Weight363.48 g/mol
Exact Mass363.15
IUPAC Name4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)cc1C
InChIInChI=1S/C19H25NO4S/c1-13-6-7-14(2)19(16(13)4)24-11-10-20-25(21,22)17-8-9-18(23-5)15(3)12-17/h6-9,12,20H,10-11H2,1-5H3
InChIKeyLZZFQSAIYIPOCM-UHFFFAOYSA-N
XLogP3.29
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]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

3,4-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101160
N-[2-(2-ethylphenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099923
N-[2-(3-chlorophenoxy)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113099468
N-[2-(2,3-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100958
2-[2-[(4-methoxy-3-methylphenyl)sulfonylamino]ethoxy]acetic acid
CID 79456556
N-[2-(ethylamino)ethyl]-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 119973818
4-methoxy-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]benzenesulfonamide
CID 2198100
N-[2-(2,5-dimethylphenoxy)ethyl]-3,4-dimethylbenzenesulfonamide
CID 113100856
2,5-dimethyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101162
N-[2-(2,6-dimethylphenoxy)ethyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113100790
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-methylbenzenesulfonamide
CID 848320
3-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 113102892

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide (CID 113101166) is 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2c(C)ccc(C)c2C)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
The InChIKey is LZZFQSAIYIPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4S/c1-13-6-7-14(2)19(16(13)4)24-11-10-20-25(21,22)17-8-9-18(23-5)15(3)12-17/h6-9,12,20H,10-11H2,1-5H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 113101166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).