3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

C18H25N3O5S — CID 110633485

IUPAC3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14(22)20-15-5-7-16(8-6-15)27(25,26)12-9-17(23)19-13-18(24)21-10-3-2-4-11-21/h5-8H,2-4,9-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyHTKFVWFBBNWSCG-UHFFFAOYSA-N
MW395.48 g/mol
LogP0.94
Rot. Bonds7

About 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide

3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (PubChem CID 110633485) has the molecular formula C18H25N3O5S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
PubChem CID110633485
Molecular FormulaC18H25N3O5S
Molecular Weight395.48 g/mol
Exact Mass395.15
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H25N3O5S/c1-14(22)20-15-5-7-16(8-6-15)27(25,26)12-9-17(23)19-13-18(24)21-10-3-2-4-11-21/h5-8H,2-4,9-13H2,1H3,(H,19,23)(H,20,22)
InChIKeyHTKFVWFBBNWSCG-UHFFFAOYSA-N
XLogP0.94
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
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N-(4-acetamidophenyl)-3-(azepan-1-yl)-3-oxopropanamide
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3-(4-acetamidophenyl)sulfonyl-N-butan-2-ylpropanamide
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3-(4-acetamidophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
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3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(benzenesulfonyl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 3163464
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
2-[(4-methylphenyl)sulfonylamino]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 9035264
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide (CID 110633485) is 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)NCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
The InChIKey is HTKFVWFBBNWSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5S/c1-14(22)20-15-5-7-16(8-6-15)27(25,26)12-9-17(23)19-13-18(24)21-10-3-2-4-11-21/h5-8H,2-4,9-13H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide?
3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide has a molecular weight of 395.48 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-(2-oxo-2-piperidin-1-ylethyl)propanamide is sourced from PubChem (CID 110633485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).