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

C20H24N2O3S — CID 1262340

IUPACN-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(21-13-12-17-8-3-1-4-9-17)18-10-7-11-19(16-18)26(24,25)22-14-5-2-6-15-22/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,21,23)
InChIKeyZZZXMSLRHJTYGL-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.83
Rot. Bonds6

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

N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1262340) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1262340
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C20H24N2O3S/c23-20(21-13-12-17-8-3-1-4-9-17)18-10-7-11-19(16-18)26(24,25)22-14-5-2-6-15-22/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,21,23)
InChIKeyZZZXMSLRHJTYGL-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1262340) is N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ZZZXMSLRHJTYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-20(21-13-12-17-8-3-1-4-9-17)18-10-7-11-19(16-18)26(24,25)22-14-5-2-6-15-22/h1,3-4,7-11,16H,2,5-6,12-15H2,(H,21,23).
What are the key properties of N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide?
N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1262340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).