2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

C23H30N4O6S2 — CID 30276090

IUPAC2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N4O6S2/c1-25(2)35(32,33)19-13-11-18(12-14-19)27(34(3,30)31)17-22(28)24-21-10-6-5-9-20(21)23(29)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,24,28)
InChIKeyJWBSIVWQMZZMNS-UHFFFAOYSA-N
MW522.65 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide

2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (PubChem CID 30276090) has the molecular formula C23H30N4O6S2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
PubChem CID30276090
Molecular FormulaC23H30N4O6S2
Molecular Weight522.65 g/mol
Exact Mass522.16
IUPAC Name2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H30N4O6S2/c1-25(2)35(32,33)19-13-11-18(12-14-19)27(34(3,30)31)17-22(28)24-21-10-6-5-9-20(21)23(29)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,24,28)
InChIKeyJWBSIVWQMZZMNS-UHFFFAOYSA-N
XLogP1.97
TPSA124.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.65
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382
2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1076398
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 2228984
2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 3542278
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-methylphenyl)acetamide
CID 30257873
2-(4-methyl-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 989313
2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]-N-propylbenzamide
CID 30271239
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-(2-ethylphenyl)acetamide
CID 30258733
N-[2-(azepane-1-carbonyl)phenyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30276109
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126413944
2-(3,4-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126416060
N-butyl-2-[[2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]acetyl]amino]benzamide
CID 30271289

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide (CID 30276090) is 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is CN(C)S(=O)(=O)c1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is JWBSIVWQMZZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O6S2/c1-25(2)35(32,33)19-13-11-18(12-14-19)27(34(3,30)31)17-22(28)24-21-10-6-5-9-20(21)23(29)26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3,(H,24,28).
What are the key properties of 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide?
2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 522.65 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoyl)-N-methylsulfonylanilino]-N-[2-(piperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 30276090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).