N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide

C21H24ClN3O5S — CID 24614355

IUPACN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15(26)23-17-5-7-20(8-6-17)31(28,29)25-11-9-18(10-12-25)24-21(27)14-30-19-4-2-3-16(22)13-19/h2-8,13,18H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyMAUVOOMYFWSOKD-UHFFFAOYSA-N
MW465.96 g/mol
LogP2.65
Rot. Bonds7

About N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide

N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide (PubChem CID 24614355) has the molecular formula C21H24ClN3O5S and a molecular weight of 465.96 g/mol. Its IUPAC name is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide
PubChem CID24614355
Molecular FormulaC21H24ClN3O5S
Molecular Weight465.96 g/mol
Exact Mass465.11
IUPAC NameN-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C21H24ClN3O5S/c1-15(26)23-17-5-7-20(8-6-17)31(28,29)25-11-9-18(10-12-25)24-21(27)14-30-19-4-2-3-16(22)13-19/h2-8,13,18H,9-12,14H2,1H3,(H,23,26)(H,24,27)
InChIKeyMAUVOOMYFWSOKD-UHFFFAOYSA-N
XLogP2.65
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108560767
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 41171859
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-quinolin-8-ylacetamide
CID 24653440
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
2-(3-chlorophenoxy)-N-[3-(4-ethylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 46816110
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-3-methylbenzamide
CID 108561834
2-(3,5-dimethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 4510832
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-naphthalen-2-yloxyacetamide
CID 1010620
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
2-[4-(4-acetamidophenyl)sulfonylpiperazin-1-ium-1-yl]-N-cyclopentylacetamide
CID 7205951
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide (CID 24614355) is N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)COc3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is MAUVOOMYFWSOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O5S/c1-15(26)23-17-5-7-20(8-6-17)31(28,29)25-11-9-18(10-12-25)24-21(27)14-30-19-4-2-3-16(22)13-19/h2-8,13,18H,9-12,14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide?
N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 465.96 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 24614355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).