2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide

C23H31ClN2O4S — CID 24822202

IUPAC2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31ClN2O4S/c24-18-1-3-20(4-2-18)31(29,30)26-7-5-19(6-8-26)25-22(28)21(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,19,21,27H,5-14H2,(H,25,28)
InChIKeyFXCANWQFKZQQQS-UHFFFAOYSA-N
MW467.03 g/mol
LogP3.19
Rot. Bonds5

About 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide

2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide (PubChem CID 24822202) has the molecular formula C23H31ClN2O4S and a molecular weight of 467.03 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide
PubChem CID24822202
Molecular FormulaC23H31ClN2O4S
Molecular Weight467.03 g/mol
Exact Mass466.17
IUPAC Name2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide
SMILESO=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H31ClN2O4S/c24-18-1-3-20(4-2-18)31(29,30)26-7-5-19(6-8-26)25-22(28)21(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,19,21,27H,5-14H2,(H,25,28)
InChIKeyFXCANWQFKZQQQS-UHFFFAOYSA-N
XLogP3.19
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.03
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-3-(4-chlorophenyl)urea
CID 3339972
2-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N-cyclopropylacetamide
CID 46294933
N-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 4272952
2-(1-adamantyl)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108559969
2-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]propanamide
CID 18143240
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-(2-methylpropanoylamino)pyrazine-2-carboxamide
CID 42854006
1-(2,4-dichlorophenyl)-3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]urea
CID 3562031
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560401

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide?
The IUPAC name of 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide (CID 24822202) is 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide is O=C(NC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide?
The InChIKey is FXCANWQFKZQQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O4S/c24-18-1-3-20(4-2-18)31(29,30)26-7-5-19(6-8-26)25-22(28)21(27)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,19,21,27H,5-14H2,(H,25,28).
What are the key properties of 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide?
2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide has a molecular weight of 467.03 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-2-hydroxyacetamide is sourced from PubChem (CID 24822202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).