4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide

C19H25NO5S — CID 113101876

IUPAC4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2OC)cc1C
InChIInChI=1S/C19H25NO5S/c1-13-6-7-16(18(10-13)24-5)25-9-8-20-26(21,22)19-12-14(2)17(23-4)11-15(19)3/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyRYRCIHFIXPJPJV-UHFFFAOYSA-N
MW379.48 g/mol
LogP2.99
Rot. Bonds8

About 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide

4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 113101876) has the molecular formula C19H25NO5S and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID113101876
Molecular FormulaC19H25NO5S
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2OC)cc1C
InChIInChI=1S/C19H25NO5S/c1-13-6-7-16(18(10-13)24-5)25-9-8-20-26(21,22)19-12-14(2)17(23-4)11-15(19)3/h6-7,10-12,20H,8-9H2,1-5H3
InChIKeyRYRCIHFIXPJPJV-UHFFFAOYSA-N
XLogP2.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxy-4-methylphenoxy)ethyl]-4-methylbenzenesulfonamide
CID 113101853
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
1-[2-(dimethylsulfamoylamino)ethoxy]-2-methoxy-4-methylbenzene
CID 113101851
N-[2-(2,3-dimethylphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113100965
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 94633814
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113102991
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide (CID 113101876) is 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCOc2ccc(C)cc2OC)cc1C.
What is the InChIKey of 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is RYRCIHFIXPJPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5S/c1-13-6-7-16(18(10-13)24-5)25-9-8-20-26(21,22)19-12-14(2)17(23-4)11-15(19)3/h6-7,10-12,20H,8-9H2,1-5H3.
What are the key properties of 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide?
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 379.48 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 113101876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).