N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide

C21H26N2O4S — CID 33176179

IUPACN-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c24-21(22-14-9-17-27-18-10-3-1-4-11-18)19-12-5-6-13-20(19)28(25,26)23-15-7-2-8-16-23/h1,3-6,10-13H,2,7-9,14-17H2,(H,22,24)
InChIKeyLGGSUXFKZDHQME-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.06
Rot. Bonds8

About N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide

N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 33176179) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
PubChem CID33176179
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c24-21(22-14-9-17-27-18-10-3-1-4-11-18)19-12-5-6-13-20(19)28(25,26)23-15-7-2-8-16-23/h1,3-6,10-13H,2,7-9,14-17H2,(H,22,24)
InChIKeyLGGSUXFKZDHQME-UHFFFAOYSA-N
XLogP3.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.06
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-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
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-(3-phenoxypropyl)-2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetamide
CID 55431438
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26880642
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
1-(benzenesulfonyl)-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17478459

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide (CID 33176179) is N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide is O=C(NCCCOc1ccccc1)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is LGGSUXFKZDHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c24-21(22-14-9-17-27-18-10-3-1-4-11-18)19-12-5-6-13-20(19)28(25,26)23-15-7-2-8-16-23/h1,3-6,10-13H,2,7-9,14-17H2,(H,22,24).
What are the key properties of N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide?
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 33176179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).