N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide

C21H24N2O5S — CID 16608359

IUPACN-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)22-18-5-9-20(10-6-18)29(26,27)23-13-11-17(12-14-23)21(25)16-3-7-19(28-2)8-4-16/h3-10,17H,11-14H2,1-2H3,(H,22,24)
InChIKeyWLUCHOSADUJJLD-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.94
Rot. Bonds6

About N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide

N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 16608359) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID16608359
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCOc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)22-18-5-9-20(10-6-18)29(26,27)23-13-11-17(12-14-23)21(25)16-3-7-19(28-2)8-4-16/h3-10,17H,11-14H2,1-2H3,(H,22,24)
InChIKeyWLUCHOSADUJJLD-UHFFFAOYSA-N
XLogP2.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
(3,4-dimethylphenyl)-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 110394212
1-(4-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 1327450
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
(3S)-N-(4-acetamidophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081635
(4-acetamidophenyl) 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 8915508
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-[4-(diethylsulfamoyl)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100655190
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
dimethyl 5-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 26695275
1-(4-methoxyphenyl)sulfonyl-N-(4-prop-2-enoxyphenyl)piperidine-4-carboxamide
CID 100655918
[(2R)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 41049422

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 16608359) is N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide is COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is WLUCHOSADUJJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15(24)22-18-5-9-20(10-6-18)29(26,27)23-13-11-17(12-14-23)21(25)16-3-7-19(28-2)8-4-16/h3-10,17H,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 416.50 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 16608359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).