N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide

C20H27NO5S — CID 30365980

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H27NO5S/c1-5-24-17-7-8-19(25-6-2)20(14-17)27(22,23)21-9-10-26-18-12-15(3)11-16(4)13-18/h7-8,11-14,21H,5-6,9-10H2,1-4H3
InChIKeyNLYWDUCADYKDDK-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.46
Rot. Bonds10

About N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide

N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide (PubChem CID 30365980) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
PubChem CID30365980
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide
SMILESCCOc1ccc(OCC)c(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c1
InChIInChI=1S/C20H27NO5S/c1-5-24-17-7-8-19(25-6-2)20(14-17)27(22,23)21-9-10-26-18-12-15(3)11-16(4)13-18/h7-8,11-14,21H,5-6,9-10H2,1-4H3
InChIKeyNLYWDUCADYKDDK-UHFFFAOYSA-N
XLogP3.46
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.46
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-(3,5-dimethylphenoxy)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 113101002
N-[2-(3,5-dimethylphenoxy)ethyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 30365956
2-ethoxy-5-methyl-N-propylbenzenesulfonamide
CID 54449996
2-methoxy-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 8800419
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113102100
N-[2-(3,5-dimethylphenoxy)ethyl]benzenesulfonamide
CID 30365872
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 113103108
2,4-diethoxy-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]benzenesulfonamide
CID 30366154
5-amino-2-ethoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104762819
2,5-dimethoxy-N-(2-phenoxyethyl)benzenesulfonamide
CID 26943488
2,5-dimethoxy-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
CID 35395703
N-[2-[[3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]-2,5-diethoxybenzenesulfonamide
CID 121059309

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide (CID 30365980) is N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide is CCOc1ccc(OCC)c(S(=O)(=O)NCCOc2cc(C)cc(C)c2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide?
The InChIKey is NLYWDUCADYKDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO5S/c1-5-24-17-7-8-19(25-6-2)20(14-17)27(22,23)21-9-10-26-18-12-15(3)11-16(4)13-18/h7-8,11-14,21H,5-6,9-10H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide has a molecular weight of 393.51 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-2,5-diethoxybenzenesulfonamide is sourced from PubChem (CID 30365980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).