N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide

C22H37N5O4S — CID 55411385

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C22H37N5O4S/c1-22(2,3)24-20(28)16-26(6)21(29)15-23-18-14-17(10-11-19(18)25(4)5)32(30,31)27-12-8-7-9-13-27/h10-11,14,23H,7-9,12-13,15-16H2,1-6H3,(H,24,28)
InChIKeyHKUAAGPYAITBEQ-UHFFFAOYSA-N
MW467.64 g/mol
LogP1.71
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide

N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide (PubChem CID 55411385) has the molecular formula C22H37N5O4S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide
PubChem CID55411385
Molecular FormulaC22H37N5O4S
Molecular Weight467.64 g/mol
Exact Mass467.26
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C
InChIInChI=1S/C22H37N5O4S/c1-22(2,3)24-20(28)16-26(6)21(29)15-23-18-14-17(10-11-19(18)25(4)5)32(30,31)27-12-8-7-9-13-27/h10-11,14,23H,7-9,12-13,15-16H2,1-6H3,(H,24,28)
InChIKeyHKUAAGPYAITBEQ-UHFFFAOYSA-N
XLogP1.71
TPSA102.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(butylcarbamoyl)-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]acetamide
CID 55410668
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605980
2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 26440019
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-[4-(azepan-1-ylsulfonyl)phenyl]propanoate
CID 55401896
2-[2-(diethylamino)-5-piperidin-1-ylsulfonylanilino]-N-ethylacetamide
CID 17393393
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]cyclopropanecarboxamide
CID 26292561
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylthiophene-2-carboxamide
CID 24667638
N-methyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)-N-phenylacetamide
CID 46797719
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 3-pyrrolidin-1-ylsulfonylthiophene-2-carboxylate
CID 55529294
2-chloro-N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-5-methylsulfanylbenzamide
CID 26292598
N-cyclohexyl-N-ethyl-2-(2-methyl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55345434
4-(azepan-1-ylsulfonyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 9049941

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide (CID 55411385) is N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)CNc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide?
The InChIKey is HKUAAGPYAITBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N5O4S/c1-22(2,3)24-20(28)16-26(6)21(29)15-23-18-14-17(10-11-19(18)25(4)5)32(30,31)27-12-8-7-9-13-27/h10-11,14,23H,7-9,12-13,15-16H2,1-6H3,(H,24,28).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide has a molecular weight of 467.64 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-2-[2-(dimethylamino)-5-piperidin-1-ylsulfonylanilino]-N-methylacetamide is sourced from PubChem (CID 55411385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).