5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide

C19H28N2O5S — CID 110306650

IUPAC5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-26-17-10-8-16(9-11-17)18(22)6-5-7-19(23)20-12-15-27(24,25)21-13-3-2-4-14-21/h8-11H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyBRECQKCLZLTMGE-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.98
Rot. Bonds10

About 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide

5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide (PubChem CID 110306650) has the molecular formula C19H28N2O5S and a molecular weight of 396.51 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
PubChem CID110306650
Molecular FormulaC19H28N2O5S
Molecular Weight396.51 g/mol
Exact Mass396.17
IUPAC Name5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NCCS(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H28N2O5S/c1-26-17-10-8-16(9-11-17)18(22)6-5-7-19(23)20-12-15-27(24,25)21-13-3-2-4-14-21/h8-11H,2-7,12-15H2,1H3,(H,20,23)
InChIKeyBRECQKCLZLTMGE-UHFFFAOYSA-N
XLogP1.98
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306644
4-(4-fluorophenyl)-4-oxo-N-(2-piperidin-1-ylsulfonylethyl)butanamide
CID 110306646
N-(4-methoxyphenyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110299866
5-(4-methoxyphenyl)-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-5-oxopentanamide
CID 110303155
N-(2-morpholin-4-ylsulfonylethyl)-5-oxo-5-phenylpentanamide
CID 110354154
5-(4-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 55905335
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
CID 55909333
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110346040
N-[2-(3-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342622
N-(3-aminobutyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 119496713
2-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylsulfonylethyl)acetamide
CID 110287567

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide (CID 110306650) is 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide is COc1ccc(C(=O)CCCC(=O)NCCS(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide?
The InChIKey is BRECQKCLZLTMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5S/c1-26-17-10-8-16(9-11-17)18(22)6-5-7-19(23)20-12-15-27(24,25)21-13-3-2-4-14-21/h8-11H,2-7,12-15H2,1H3,(H,20,23).
What are the key properties of 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide?
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide has a molecular weight of 396.51 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide is sourced from PubChem (CID 110306650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).