N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

C20H26N4O4S — CID 2493545

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26)
InChIKeyYHVGQZFKHNECPU-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.40
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (PubChem CID 2493545) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
PubChem CID2493545
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1
InChIInChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26)
InChIKeyYHVGQZFKHNECPU-UHFFFAOYSA-N
XLogP1.40
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide (CID 2493545) is N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3O)CC2)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is YHVGQZFKHNECPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-22(2)29(27,28)17-9-7-16(8-10-17)21-20(26)15-23-11-13-24(14-12-23)18-5-3-4-6-19(18)25/h3-10,25H,11-15H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 2493545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).