5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide

C19H26N2O4S — CID 13106291

IUPAC5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
SMILESCCOc1ccccc1OCCNCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O4S/c1-3-24-17-6-4-5-7-18(17)25-13-12-21-11-10-16-9-8-15(2)19(14-16)26(20,22)23/h4-9,14,21H,3,10-13H2,1-2H3,(H2,20,22,23)
InChIKeyOJCUCUAPMBZMQH-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.25
Rot. Bonds10

About 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide

5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide (PubChem CID 13106291) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
PubChem CID13106291
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Name5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide
SMILESCCOc1ccccc1OCCNCCc1ccc(C)c(S(N)(=O)=O)c1
InChIInChI=1S/C19H26N2O4S/c1-3-24-17-6-4-5-7-18(17)25-13-12-21-11-10-16-9-8-15(2)19(14-16)26(20,22)23/h4-9,14,21H,3,10-13H2,1-2H3,(H2,20,22,23)
InChIKeyOJCUCUAPMBZMQH-UHFFFAOYSA-N
XLogP2.25
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide (CID 13106291) is 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide is CCOc1ccccc1OCCNCCc1ccc(C)c(S(N)(=O)=O)c1.
What is the InChIKey of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is OJCUCUAPMBZMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-3-24-17-6-4-5-7-18(17)25-13-12-21-11-10-16-9-8-15(2)19(14-16)26(20,22)23/h4-9,14,21H,3,10-13H2,1-2H3,(H2,20,22,23).
What are the key properties of 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide?
5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-ethoxyphenoxy)ethylamino]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 13106291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).