N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide

C21H28N4O5S2 — CID 16553103

IUPACN-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H28N4O5S2/c1-24(2)31(27,28)19-10-7-9-18(15-19)23-21(26)16-22-17-8-6-11-20(14-17)32(29,30)25-12-4-3-5-13-25/h6-11,14-15,22H,3-5,12-13,16H2,1-2H3,(H,23,26)
InChIKeyJKBLPZWIGMAUDM-UHFFFAOYSA-N
MW480.61 g/mol
LogP2.16
Rot. Bonds8

About N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 16553103) has the molecular formula C21H28N4O5S2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID16553103
Molecular FormulaC21H28N4O5S2
Molecular Weight480.61 g/mol
Exact Mass480.15
IUPAC NameN-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C21H28N4O5S2/c1-24(2)31(27,28)19-10-7-9-18(15-19)23-21(26)16-22-17-8-6-11-20(14-17)32(29,30)25-12-4-3-5-13-25/h6-11,14-15,22H,3-5,12-13,16H2,1-2H3,(H,23,26)
InChIKeyJKBLPZWIGMAUDM-UHFFFAOYSA-N
XLogP2.16
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083457
N-(3-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 42996600
N-(3-cyanophenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083464
N-(4-ethylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083492
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-(3-chloro-4-cyanophenyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083877
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
2-(2-chloroanilino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9098739
N-(2-acetylphenyl)-2-[3-(azepan-1-ylsulfonyl)anilino]acetamide
CID 16553147
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
2-[3-(azepan-1-ylsulfonyl)anilino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 55362336

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide (CID 16553103) is N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CNc2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is JKBLPZWIGMAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O5S2/c1-24(2)31(27,28)19-10-7-9-18(15-19)23-21(26)16-22-17-8-6-11-20(14-17)32(29,30)25-12-4-3-5-13-25/h6-11,14-15,22H,3-5,12-13,16H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide?
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 480.61 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 16553103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).