N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

C21H26N2O4S — CID 55338519

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c1-27-19-11-5-3-9-17(19)13-14-22-21(24)18-10-4-6-12-20(18)28(25,26)23-15-7-2-8-16-23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,22,24)
InChIKeyPUSRISPJWIMUPL-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide

N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 55338519) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID55338519
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H26N2O4S/c1-27-19-11-5-3-9-17(19)13-14-22-21(24)18-10-4-6-12-20(18)28(25,26)23-15-7-2-8-16-23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,22,24)
InChIKeyPUSRISPJWIMUPL-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55396039
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594
3-[(2-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119177170
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55757606
N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 37484983
N-(2-phenoxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33250445
N-(3-phenoxypropyl)-2-piperidin-1-ylsulfonylbenzamide
CID 33176179
N-(2-amino-2-methylpropyl)-2-piperidin-1-ylsulfonylbenzamide;hydrochloride
CID 119627285
N-[(2,3-dimethoxyphenyl)methyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625521
N-[(2-methoxyphenyl)methyl]-1,5-dimethyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068896
3-(azepan-1-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 53142922
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide (CID 55338519) is N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is COc1ccccc1CCNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PUSRISPJWIMUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-27-19-11-5-3-9-17(19)13-14-22-21(24)18-10-4-6-12-20(18)28(25,26)23-15-7-2-8-16-23/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,22,24).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55338519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).