N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide

C19H26N2O4S — CID 34689424

IUPACN,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccccc1)CCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H26N2O4S/c1-20(2)26(22,23)19-11-9-18(10-12-19)25-16-14-21(3)13-15-24-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3
InChIKeyYAPBKOSBWHTKAV-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.33
Rot. Bonds10

About N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide

N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide (PubChem CID 34689424) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
PubChem CID34689424
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide
SMILESCN(CCOc1ccccc1)CCOc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C19H26N2O4S/c1-20(2)26(22,23)19-11-9-18(10-12-19)25-16-14-21(3)13-15-24-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3
InChIKeyYAPBKOSBWHTKAV-UHFFFAOYSA-N
XLogP2.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N,N-dimethyl-4-[2-[methyl(pyridin-2-yl)amino]ethoxy]benzenesulfonamide
CID 75375799
phenyl 2-[methyl(2-phenoxyethyl)amino]ethanesulfonate
CID 86976759
4-[2-[benzyl(methyl)amino]ethoxy]benzenesulfonamide
CID 34600685
N,N-dimethyl-4-[2-[methyl(naphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 60572938
4-[2-[benzyl(cyclopropyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 32517776
N,N-dimethyl-4-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethoxy]benzenesulfonamide
CID 51281628
4-[2-[2-methoxyethyl(methyl)amino]ethoxy]benzenesulfonamide
CID 47294827
[2-[4-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenoxypropanoate
CID 7841332
N,N-dimethyl-4-[2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethoxy]benzenesulfonamide
CID 42926100
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 39975511
N-(2,6-dichlorophenyl)-2-[2-[4-(dimethylsulfamoyl)phenoxy]ethyl-methylamino]acetamide
CID 17425916

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide (CID 34689424) is N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide is CN(CCOc1ccccc1)CCOc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide?
The InChIKey is YAPBKOSBWHTKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-20(2)26(22,23)19-11-9-18(10-12-19)25-16-14-21(3)13-15-24-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide?
N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-[methyl(2-phenoxyethyl)amino]ethoxy]benzenesulfonamide is sourced from PubChem (CID 34689424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).