2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

C24H34N4O6S2 — CID 18890955

IUPAC2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C24H34N4O6S2/c1-18-9-10-19(2)22(15-18)28(36(32,33)26(3)4)17-24(29)25-21-16-20(11-12-23(21)34-5)35(30,31)27-13-7-6-8-14-27/h9-12,15-16H,6-8,13-14,17H2,1-5H3,(H,25,29)
InChIKeyPDGUFXOUSPQDFO-UHFFFAOYSA-N
MW538.69 g/mol
LogP2.74
Rot. Bonds9

About 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide

2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (PubChem CID 18890955) has the molecular formula C24H34N4O6S2 and a molecular weight of 538.69 g/mol. Its IUPAC name is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
PubChem CID18890955
Molecular FormulaC24H34N4O6S2
Molecular Weight538.69 g/mol
Exact Mass538.19
IUPAC Name2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C
InChIInChI=1S/C24H34N4O6S2/c1-18-9-10-19(2)22(15-18)28(36(32,33)26(3)4)17-24(29)25-21-16-20(11-12-23(21)34-5)35(30,31)27-13-7-6-8-14-27/h9-12,15-16H,6-8,13-14,17H2,1-5H3,(H,25,29)
InChIKeyPDGUFXOUSPQDFO-UHFFFAOYSA-N
XLogP2.74
TPSA116.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.69
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43893845
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
2-(2,3-dimethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30224711
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
2-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 46772784
2-[N-(benzenesulfonyl)-4-methylanilino]-N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 43901819
2-[N-(benzenesulfonyl)-3-methylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 43891904
2-(2-chloro-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219518
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
2-(2-ethyl-N-methylsulfonylanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 30219303
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 100635331
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023

Frequently Asked Questions

What is the IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The IUPAC name of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide (CID 18890955) is 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide.
What is the SMILES notation for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The canonical SMILES for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)N(C)C.
What is the InChIKey of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
The InChIKey is PDGUFXOUSPQDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O6S2/c1-18-9-10-19(2)22(15-18)28(36(32,33)26(3)4)17-24(29)25-21-16-20(11-12-23(21)34-5)35(30,31)27-13-7-6-8-14-27/h9-12,15-16H,6-8,13-14,17H2,1-5H3,(H,25,29).
What are the key properties of 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide?
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide has a molecular weight of 538.69 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 18890955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).