N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide

C26H30N2O4S — CID 126200721

IUPACN,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-21(2)17-27-33(30,31)25-15-13-24(14-16-25)32-20-26(29)28(18-22-9-5-3-6-10-22)19-23-11-7-4-8-12-23/h3-16,21,27H,17-20H2,1-2H3
InChIKeyCJJPIMDYJRXNIG-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.23
Rot. Bonds11

About N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide

N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (PubChem CID 126200721) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
PubChem CID126200721
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C26H30N2O4S/c1-21(2)17-27-33(30,31)25-15-13-24(14-16-25)32-20-26(29)28(18-22-9-5-3-6-10-22)19-23-11-7-4-8-12-23/h3-16,21,27H,17-20H2,1-2H3
InChIKeyCJJPIMDYJRXNIG-UHFFFAOYSA-N
XLogP4.23
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide (CID 126200721) is N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
The InChIKey is CJJPIMDYJRXNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-21(2)17-27-33(30,31)25-15-13-24(14-16-25)32-20-26(29)28(18-22-9-5-3-6-10-22)19-23-11-7-4-8-12-23/h3-16,21,27H,17-20H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide?
N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide has a molecular weight of 466.60 g/mol, XLogP of 4.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[4-(2-methylpropylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 126200721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).