N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

C21H24N2O5S — CID 2979389

IUPACN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(C)=O)c3)C2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)16-5-3-7-18(13-16)22-21(25)17-6-4-12-23(14-17)29(26,27)20-10-8-19(28-2)9-11-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,25)
InChIKeyPRNNXPYODRYKQY-UHFFFAOYSA-N
MW416.50 g/mol
LogP2.94
Rot. Bonds6

About N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide

N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 2979389) has the molecular formula C21H24N2O5S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
PubChem CID2979389
Molecular FormulaC21H24N2O5S
Molecular Weight416.50 g/mol
Exact Mass416.14
IUPAC NameN-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(C)=O)c3)C2)cc1
InChIInChI=1S/C21H24N2O5S/c1-15(24)16-5-3-7-18(13-16)22-21(25)17-6-4-12-23(14-17)29(26,27)20-10-8-19(28-2)9-11-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,25)
InChIKeyPRNNXPYODRYKQY-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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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide (CID 2979389) is N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc(C(C)=O)c3)C2)cc1.
What is the InChIKey of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PRNNXPYODRYKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5S/c1-15(24)16-5-3-7-18(13-16)22-21(25)17-6-4-12-23(14-17)29(26,27)20-10-8-19(28-2)9-11-20/h3,5,7-11,13,17H,4,6,12,14H2,1-2H3,(H,22,25).
What are the key properties of N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide?
N-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide 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-(3-acetylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2979389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).