N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide

C16H24N2O5S2 — CID 71809143

IUPACN-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-17-16(19)13-24(20,21)15-7-10-18(11-8-15)25(22,23)12-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyIIOHHXWPILSYLM-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.18
Rot. Bonds7

About N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide

N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide (PubChem CID 71809143) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide
PubChem CID71809143
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H24N2O5S2/c1-17-16(19)13-24(20,21)15-7-10-18(11-8-15)25(22,23)12-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19)
InChIKeyIIOHHXWPILSYLM-UHFFFAOYSA-N
XLogP0.18
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Phenylthiomorpholin-3-one
CID 20242416
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CID 2228178
N-(2-phenylethyl)-1-(propylsulfonyl)piperidine-3-carboxamide
CID 4057576
1-(butylsulfonyl)-N-(2-phenylethyl)-3-piperidinecarboxamide
CID 6473196
2-(benzylsulfonyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 3269509
N-(2-cyclohex-1-en-1-ylethyl)-3-[(4-methylbenzyl)sulfonyl]propanamide
CID 4119952
N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 4547646
S-[3-oxo-3-[[4-oxo-4-(2-phenylethylamino)butyl]amino]propyl] ethanethioate
CID 90024758
2-benzylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1304638
3-[(4-methylbenzyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 4119951
3-(Benzylsulfonyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 6488979

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide?
The IUPAC name of N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide (CID 71809143) is N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide.
What is the SMILES notation for N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide?
The canonical SMILES for N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide is CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide?
The InChIKey is IIOHHXWPILSYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-17-16(19)13-24(20,21)15-7-10-18(11-8-15)25(22,23)12-9-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,17,19).
What are the key properties of N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide?
N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide has a molecular weight of 388.51 g/mol, XLogP of 0.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(2-phenylethylsulfonyl)piperidin-4-yl]sulfonylacetamide is sourced from PubChem (CID 71809143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).