N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide

C24H28N2O3S — CID 18512282

IUPACN-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide
SMILESCCOCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-3-29-19-22-23(25-30(2,27)28)15-10-16-24(22)26(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,25H,3,17-19H2,1-2H3
InChIKeyXSWQGNVIQFFQTL-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.80
Rot. Bonds10

About N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide

N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide (PubChem CID 18512282) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide
PubChem CID18512282
Molecular FormulaC24H28N2O3S
Molecular Weight424.57 g/mol
Exact Mass424.18
IUPAC NameN-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide
SMILESCCOCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H28N2O3S/c1-3-29-19-22-23(25-30(2,27)28)15-10-16-24(22)26(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,25H,3,17-19H2,1-2H3
InChIKeyXSWQGNVIQFFQTL-UHFFFAOYSA-N
XLogP4.80
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide (CID 18512282) is N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide is CCOCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide?
The InChIKey is XSWQGNVIQFFQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-3-29-19-22-23(25-30(2,27)28)15-10-16-24(22)26(17-20-11-6-4-7-12-20)18-21-13-8-5-9-14-21/h4-16,25H,3,17-19H2,1-2H3.
What are the key properties of N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide?
N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-2-(ethoxymethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 18512282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).