N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide

C20H24N2O4S — CID 33250445

IUPACN-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(21-13-16-26-17-9-3-1-4-10-17)18-11-5-6-12-19(18)27(24,25)22-14-7-2-8-15-22/h1,3-6,9-12H,2,7-8,13-16H2,(H,21,23)
InChIKeyDXUBCGVICLOTOS-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.67
Rot. Bonds7

About N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide

N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 33250445) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID33250445
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC NameN-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H24N2O4S/c23-20(21-13-16-26-17-9-3-1-4-10-17)18-11-5-6-12-19(18)27(24,25)22-14-7-2-8-15-22/h1,3-6,9-12H,2,7-8,13-16H2,(H,21,23)
InChIKeyDXUBCGVICLOTOS-UHFFFAOYSA-N
XLogP2.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
2-methyl-N-(2-phenoxyethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26677034
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
N-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide (CID 33250445) is N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(NCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DXUBCGVICLOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c23-20(21-13-16-26-17-9-3-1-4-10-17)18-11-5-6-12-19(18)27(24,25)22-14-7-2-8-15-22/h1,3-6,9-12H,2,7-8,13-16H2,(H,21,23).
What are the key properties of N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 33250445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).