N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide

C18H23NO6S — CID 113102100

IUPACN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(OCCNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23NO6S/c1-13-5-6-17(24-4)18(9-13)26(20,21)19-7-8-25-16-11-14(22-2)10-15(12-16)23-3/h5-6,9-12,19H,7-8H2,1-4H3
InChIKeyFDYKJZFVHKAMIV-UHFFFAOYSA-N
MW381.45 g/mol
LogP2.38
Rot. Bonds9

About N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide

N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 113102100) has the molecular formula C18H23NO6S and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
PubChem CID113102100
Molecular FormulaC18H23NO6S
Molecular Weight381.45 g/mol
Exact Mass381.12
IUPAC NameN-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1cc(OC)cc(OCCNS(=O)(=O)c2cc(C)ccc2OC)c1
InChIInChI=1S/C18H23NO6S/c1-13-5-6-17(24-4)18(9-13)26(20,21)19-7-8-25-16-11-14(22-2)10-15(12-16)23-3/h5-6,9-12,19H,7-8H2,1-4H3
InChIKeyFDYKJZFVHKAMIV-UHFFFAOYSA-N
XLogP2.38
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
2-methoxy-5-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]benzenesulfonamide
CID 113100388
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113102102
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
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
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2-methoxy-5-methyl-N-(2-quinolin-6-yloxyethyl)benzenesulfonamide
CID 113102220
2-methoxy-5-methyl-N-[2-(2,3,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113096499
2-methoxy-5-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 967907
N-[2-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide (CID 113102100) is N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is COc1cc(OC)cc(OCCNS(=O)(=O)c2cc(C)ccc2OC)c1.
What is the InChIKey of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is FDYKJZFVHKAMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO6S/c1-13-5-6-17(24-4)18(9-13)26(20,21)19-7-8-25-16-11-14(22-2)10-15(12-16)23-3/h5-6,9-12,19H,7-8H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide?
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 381.45 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 113102100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).