2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide

C23H32N4O4S — CID 26440019

IUPAC2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C23H32N4O4S/c1-17-8-11-22(31-4)20(14-17)25-23(28)16-24-19-15-18(9-10-21(19)26(2)3)32(29,30)27-12-6-5-7-13-27/h8-11,14-15,24H,5-7,12-13,16H2,1-4H3,(H,25,28)
InChIKeyLFEFDUXYIZBGTB-UHFFFAOYSA-N
MW460.60 g/mol
LogP3.29
Rot. Bonds8

About 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide

2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 26440019) has the molecular formula C23H32N4O4S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID26440019
Molecular FormulaC23H32N4O4S
Molecular Weight460.60 g/mol
Exact Mass460.21
IUPAC Name2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C23H32N4O4S/c1-17-8-11-22(31-4)20(14-17)25-23(28)16-24-19-15-18(9-10-21(19)26(2)3)32(29,30)27-12-6-5-7-13-27/h8-11,14-15,24H,5-7,12-13,16H2,1-4H3,(H,25,28)
InChIKeyLFEFDUXYIZBGTB-UHFFFAOYSA-N
XLogP3.29
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 9083438
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 18890955
2-(4-fluoroanilino)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 9098686
2-methoxy-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-5-methylbenzamide
CID 9046765
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3-(4-methylphenyl)propanamide
CID 24555023
N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902014
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
N-(2-methoxy-5-methylphenyl)-2-(4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 1084118
ethyl 4-[[2-(2-methoxy-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl]amino]benzoate
CID 24614979
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 26065871
N-(2,5-dimethoxyphenyl)-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083617

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide (CID 26440019) is 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C.
What is the InChIKey of 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is LFEFDUXYIZBGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4S/c1-17-8-11-22(31-4)20(14-17)25-23(28)16-24-19-15-18(9-10-21(19)26(2)3)32(29,30)27-12-6-5-7-13-27/h8-11,14-15,24H,5-7,12-13,16H2,1-4H3,(H,25,28).
What are the key properties of 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 460.60 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 26440019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).