4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide

C19H26N2O4S — CID 71862788

IUPAC4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(OCCNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O4S/c1-15(16-5-11-19(12-6-16)26(22,23)21(2)3)20-13-14-25-18-9-7-17(24-4)8-10-18/h5-12,15,20H,13-14H2,1-4H3
InChIKeyRSFZOXQWMWVHLY-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.68
Rot. Bonds9

About 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide

4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 71862788) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
PubChem CID71862788
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(OCCNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O4S/c1-15(16-5-11-19(12-6-16)26(22,23)21(2)3)20-13-14-25-18-9-7-17(24-4)8-10-18/h5-12,15,20H,13-14H2,1-4H3
InChIKeyRSFZOXQWMWVHLY-UHFFFAOYSA-N
XLogP2.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.68
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

4-[1-(butylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 60960679
4-[1-(3,3-dimethylbutylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115676311
N,N-dimethyl-4-[1-(2-methylsulfanylethylamino)ethyl]benzenesulfonamide
CID 63981200
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
4-[1-(4-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 107270144
(1S)-1-(4-methoxyphenyl)-N-(2-methylsulfonylethyl)ethanamine
CID 81371404
(1S)-N-[2-(4-methoxyphenoxy)ethyl]-1-(3-methoxyphenyl)ethanamine
CID 95972955
4-[1-(3-hydroxypentylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 115729207
N,N-dimethyl-4-[1-(4-methylsulfanylbutylamino)ethyl]benzenesulfonamide
CID 115677168
N,N-dimethyl-4-[1-(2-methylsulfinylpropylamino)ethyl]benzenesulfonamide
CID 115896099
N-[1-(4-methoxyphenyl)ethyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43191156
4-[1-(hex-5-ynylamino)ethyl]-N,N-dimethylbenzenesulfonamide
CID 103903594

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide (CID 71862788) is 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide is COc1ccc(OCCNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is RSFZOXQWMWVHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-15(16-5-11-19(12-6-16)26(22,23)21(2)3)20-13-14-25-18-9-7-17(24-4)8-10-18/h5-12,15,20H,13-14H2,1-4H3.
What are the key properties of 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide?
4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-methoxyphenoxy)ethylamino]ethyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 71862788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).