4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

C14H24N2O3S2 — CID 115988407

IUPAC4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCSC)cc1CNC
InChIInChI=1S/C14H24N2O3S2/c1-5-19-14-7-6-13(10-12(14)11-15-2)21(17,18)16(3)8-9-20-4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyNRBQWOHPBWSQLM-UHFFFAOYSA-N
MW332.49 g/mol
LogP1.79
Rot. Bonds9

About 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide

4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (PubChem CID 115988407) has the molecular formula C14H24N2O3S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
PubChem CID115988407
Molecular FormulaC14H24N2O3S2
Molecular Weight332.49 g/mol
Exact Mass332.12
IUPAC Name4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CCSC)cc1CNC
InChIInChI=1S/C14H24N2O3S2/c1-5-19-14-7-6-13(10-12(14)11-15-2)21(17,18)16(3)8-9-20-4/h6-7,10,15H,5,8-9,11H2,1-4H3
InChIKeyNRBQWOHPBWSQLM-UHFFFAOYSA-N
XLogP1.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(chloromethyl)-4-methoxy-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667033
4-chloro-3-(ethylaminomethyl)-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988345
4-ethoxy-N-(2-ethoxyethyl)-3-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 81063847
4-ethoxy-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032258
4-ethoxy-3-(methylaminomethyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031601
3-(aminomethyl)-4-fluoro-N-methyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112667293
N-methyl-3-(methylamino)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 114263597
N-methyl-2-(methylamino)-N-(2-methylsulfanylethyl)quinoline-6-sulfonamide
CID 115987134
3-amino-N,4-dimethyl-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 112656600
N-butyl-3-chloro-4-ethoxy-N-methylbenzenesulfonamide
CID 110758150
N-butyl-4-ethoxy-3-fluoro-N-methylbenzenesulfonamide
CID 110758081
5-chloro-N,2-dimethyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 115988257

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide (CID 115988407) is 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)N(C)CCSC)cc1CNC.
What is the InChIKey of 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
The InChIKey is NRBQWOHPBWSQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S2/c1-5-19-14-7-6-13(10-12(14)11-15-2)21(17,18)16(3)8-9-20-4/h6-7,10,15H,5,8-9,11H2,1-4H3.
What are the key properties of 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide?
4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide has a molecular weight of 332.49 g/mol, XLogP of 1.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-3-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 115988407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).