4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide

C21H26N2O4S — CID 2947715

IUPAC4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-17(18-8-4-2-5-9-18)22-28(25,26)20-12-10-19(11-13-20)27-16-21(24)23-14-6-3-7-15-23/h2,4-5,8-13,17,22H,3,6-7,14-16H2,1H3
InChIKeyFBWORYBPZFAEQS-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.12
Rot. Bonds7

About 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide

4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 2947715) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID2947715
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H26N2O4S/c1-17(18-8-4-2-5-9-18)22-28(25,26)20-12-10-19(11-13-20)27-16-21(24)23-14-6-3-7-15-23/h2,4-5,8-13,17,22H,3,6-7,14-16H2,1H3
InChIKeyFBWORYBPZFAEQS-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethoxy]-N-(1-phenylethyl)benzenesulfonamide
CID 4213059
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 41140882
ethyl 4-[2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 126156286
4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 126149902
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 1293061
2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]-N-propan-2-ylacetamide
CID 1006268
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-phenyl-2-[4-[[(1S)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126130695
N-tert-butyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126152898
N-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7369582
N-benzyl-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 1317169
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 28552297

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide (CID 2947715) is 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is FBWORYBPZFAEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-17(18-8-4-2-5-9-18)22-28(25,26)20-12-10-19(11-13-20)27-16-21(24)23-14-6-3-7-15-23/h2,4-5,8-13,17,22H,3,6-7,14-16H2,1H3.
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide?
4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 402.52 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethoxy)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2947715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).