[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

C21H26N2O5S — CID 42902422

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3
InChIKeyVEMZFXZVEJAOMM-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.45
Rot. Bonds6

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (PubChem CID 42902422) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
PubChem CID42902422
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate
SMILESCC1CCCC(C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3
InChIKeyVEMZFXZVEJAOMM-UHFFFAOYSA-N
XLogP2.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-hydroxy-3-methyl-2-[2-morpholin-4-ylethyl(naphthalen-2-ylsulfonyl)amino]butanamide
CID 57391225
1-(4-Naphthalen-2-ylsulfonylpiperazin-1-yl)-2-(oxolan-2-ylmethylamino)ethanone;oxalic acid
CID 11948748
[2-Oxo-2-(2-phenylethylamino)ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24686724
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24979514
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)naphthalene-2-sulfonamide
CID 970616
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate
CID 2394606
[2-(Cyclohexylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2645852
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3411875
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 4117638
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 2346832
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 18208408
[2-[Benzyl(propan-2-yl)amino]-2-oxoethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 24366034

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate (CID 42902422) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is CC1CCCC(C)N1C(=O)COC(=O)CNS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
The InChIKey is VEMZFXZVEJAOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-15-6-5-7-16(2)23(15)20(24)14-28-21(25)13-22-29(26,27)19-11-10-17-8-3-4-9-18(17)12-19/h3-4,8-12,15-16,22H,5-7,13-14H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate has a molecular weight of 418.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-(naphthalen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 42902422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).