N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide

C23H26N2O2S — CID 18512161

IUPACN-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
SMILESCCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-3-21-22(24-28(2,26)27)15-10-16-23(21)25(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-16,24H,3,17-18H2,1-2H3
InChIKeyVHQBARXHNQJQJO-UHFFFAOYSA-N
MW394.54 g/mol
LogP4.83
Rot. Bonds8

About N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide

N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide (PubChem CID 18512161) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
PubChem CID18512161
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC NameN-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide
SMILESCCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H26N2O2S/c1-3-21-22(24-28(2,26)27)15-10-16-23(21)25(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-16,24H,3,17-18H2,1-2H3
InChIKeyVHQBARXHNQJQJO-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide?
The IUPAC name of N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide (CID 18512161) is N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide?
The canonical SMILES for N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide is CCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide?
The InChIKey is VHQBARXHNQJQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-3-21-22(24-28(2,26)27)15-10-16-23(21)25(17-19-11-6-4-7-12-19)18-20-13-8-5-9-14-20/h4-16,24H,3,17-18H2,1-2H3.
What are the key properties of N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide?
N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide has a molecular weight of 394.54 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dibenzylamino)-2-ethylphenyl]methanesulfonamide is sourced from PubChem (CID 18512161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).