N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

C21H26N2O4S — CID 2329116

IUPACN-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-10-8-17(9-11-19)12-13-22-21(24)18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-11,16H,2-4,12-15H2,1H3,(H,22,24)
InChIKeyPOCVSVGAPXSESG-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.84
Rot. Bonds7

About N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide

N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 2329116) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID2329116
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-27-19-10-8-17(9-11-19)12-13-22-21(24)18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-11,16H,2-4,12-15H2,1H3,(H,22,24)
InChIKeyPOCVSVGAPXSESG-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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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide (CID 2329116) is N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is POCVSVGAPXSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-27-19-10-8-17(9-11-19)12-13-22-21(24)18-6-5-7-20(16-18)28(25,26)23-14-3-2-4-15-23/h5-11,16H,2-4,12-15H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[2-(4-methoxyphenyl)ethyl]-3-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-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2329116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).