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

C30H30N2O4S — CID 126117629

IUPACN,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30N2O4S/c33-30(32(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27)24-36-28-16-18-29(19-17-28)37(34,35)31-21-20-25-10-4-1-5-11-25/h1-19,31H,20-24H2
InChIKeyBMXJMBHJMGHABV-UHFFFAOYSA-N
MW514.65 g/mol
LogP4.82
Rot. Bonds12

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

N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (PubChem CID 126117629) has the molecular formula C30H30N2O4S and a molecular weight of 514.65 g/mol. Its IUPAC name is N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
PubChem CID126117629
Molecular FormulaC30H30N2O4S
Molecular Weight514.65 g/mol
Exact Mass514.19
IUPAC NameN,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H30N2O4S/c33-30(32(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27)24-36-28-16-18-29(19-17-28)37(34,35)31-21-20-25-10-4-1-5-11-25/h1-19,31H,20-24H2
InChIKeyBMXJMBHJMGHABV-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(benzenesulfonamido)ethyl]phenoxy]acetamide
CID 19388075
2-phenoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5187425
N-(2-methylpropyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126119881
N-(2,6-dichlorophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 126122414
2-(4-bromophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5173418
N-[(1S)-1-phenylethyl]-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 1314125
N,N-diethyl-2-[4-(propylsulfamoyl)phenoxy]acetamide
CID 45375378
4-ethoxy-N-[4-(2-phenylethylsulfamoyl)phenyl]benzamide
CID 3601253
N-(2-cyanophenyl)-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide
CID 122189465
N,N-diethyl-4-(2-phenylethylsulfamoyl)benzamide
CID 47952538
2-naphthalen-2-yloxy-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 5169529
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 126139757

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide (CID 126117629) is N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide is O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
The InChIKey is BMXJMBHJMGHABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O4S/c33-30(32(22-26-12-6-2-7-13-26)23-27-14-8-3-9-15-27)24-36-28-16-18-29(19-17-28)37(34,35)31-21-20-25-10-4-1-5-11-25/h1-19,31H,20-24H2.
What are the key properties of N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide?
N,N-dibenzyl-2-[4-(2-phenylethylsulfamoyl)phenoxy]acetamide has a molecular weight of 514.65 g/mol, XLogP of 4.82, 12 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-phenylethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 126117629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).