N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide

C24H27N3O3S — CID 2302024

IUPACN,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-25(2)31(29,30)27(23-16-10-5-11-17-23)20-24(28)26(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17H,18-20H2,1-2H3
InChIKeyPEXDAMXBXOUPMS-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.53
Rot. Bonds9

About N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide

N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide (PubChem CID 2302024) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide.

Molecular Properties

Compound NameN,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
PubChem CID2302024
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide
SMILESCN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-25(2)31(29,30)27(23-16-10-5-11-17-23)20-24(28)26(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17H,18-20H2,1-2H3
InChIKeyPEXDAMXBXOUPMS-UHFFFAOYSA-N
XLogP3.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The IUPAC name of N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide (CID 2302024) is N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide.
What is the SMILES notation for N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The canonical SMILES for N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide is CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide?
The InChIKey is PEXDAMXBXOUPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-25(2)31(29,30)27(23-16-10-5-11-17-23)20-24(28)26(18-21-12-6-3-7-13-21)19-22-14-8-4-9-15-22/h3-17H,18-20H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide?
N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide has a molecular weight of 437.57 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[N-(dimethylsulfamoyl)anilino]acetamide is sourced from PubChem (CID 2302024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).