N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide

C22H30N4O3S — CID 29455899

IUPACN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H30N4O3S/c1-25(2)30(28,29)21-13-7-4-10-18(21)16-24-22(27)17-23-19-11-5-6-12-20(19)26-14-8-3-9-15-26/h4-7,10-13,23H,3,8-9,14-17H2,1-2H3,(H,24,27)
InChIKeyYAOUVPHCFWODPU-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.66
Rot. Bonds8

About N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide

N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide (PubChem CID 29455899) has the molecular formula C22H30N4O3S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
PubChem CID29455899
Molecular FormulaC22H30N4O3S
Molecular Weight430.57 g/mol
Exact Mass430.20
IUPAC NameN-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide
SMILESCN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccccc1N1CCCCC1
InChIInChI=1S/C22H30N4O3S/c1-25(2)30(28,29)21-13-7-4-10-18(21)16-24-22(27)17-23-19-11-5-6-12-20(19)26-14-8-3-9-15-26/h4-7,10-13,23H,3,8-9,14-17H2,1-2H3,(H,24,27)
InChIKeyYAOUVPHCFWODPU-UHFFFAOYSA-N
XLogP2.66
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide (CID 29455899) is N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide is CN(C)S(=O)(=O)c1ccccc1CNC(=O)CNc1ccccc1N1CCCCC1.
What is the InChIKey of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide?
The InChIKey is YAOUVPHCFWODPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3S/c1-25(2)30(28,29)21-13-7-4-10-18(21)16-24-22(27)17-23-19-11-5-6-12-20(19)26-14-8-3-9-15-26/h4-7,10-13,23H,3,8-9,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide?
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide has a molecular weight of 430.57 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(2-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 29455899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).