4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide

C20H26N2O5S — CID 24649082

IUPAC4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N2O5S/c1-4-22(14-16-5-10-19-20(13-16)27-15-26-19)11-12-25-17-6-8-18(9-7-17)28(23,24)21(2)3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyUGJDQABUMVVPIA-UHFFFAOYSA-N
MW406.50 g/mol
LogP2.57
Rot. Bonds9

About 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide

4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide (PubChem CID 24649082) has the molecular formula C20H26N2O5S and a molecular weight of 406.50 g/mol. Its IUPAC name is 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
PubChem CID24649082
Molecular FormulaC20H26N2O5S
Molecular Weight406.50 g/mol
Exact Mass406.16
IUPAC Name4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide
SMILESCCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C20H26N2O5S/c1-4-22(14-16-5-10-19-20(13-16)27-15-26-19)11-12-25-17-6-8-18(9-7-17)28(23,24)21(2)3/h5-10,13H,4,11-12,14-15H2,1-3H3
InChIKeyUGJDQABUMVVPIA-UHFFFAOYSA-N
XLogP2.57
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-[(2-chlorophenyl)methyl-ethylamino]ethoxy]-N,N-dimethylbenzenesulfonamide
CID 55682227
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17402358
3-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 34549500
1-[1,3-benzodioxol-5-ylmethyl-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 43818285
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
N-(1,3-benzodioxol-5-ylmethyl)-4-ethoxybenzenesulfonamide
CID 741468
1-(1,3-benzodioxol-5-yl)-N-(dimethylsulfamoyl)-N-methylmethanamine
CID 35312180
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylethanesulfonamide
CID 61361658
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 110674563
N-[2-(4-methylphenoxy)ethyl]-1,3-benzodioxole-5-sulfonamide
CID 113099181
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethyl-N-methylbenzenesulfonamide
CID 18191917

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide (CID 24649082) is 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide is CCN(CCOc1ccc(S(=O)(=O)N(C)C)cc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UGJDQABUMVVPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S/c1-4-22(14-16-5-10-19-20(13-16)27-15-26-19)11-12-25-17-6-8-18(9-7-17)28(23,24)21(2)3/h5-10,13H,4,11-12,14-15H2,1-3H3.
What are the key properties of 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide?
4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide has a molecular weight of 406.50 g/mol, XLogP of 2.57, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]ethoxy]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24649082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).