N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide

C21H28N2O2S — CID 47068811

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-18-12-14-23(15-13-18)21(20-10-6-3-7-11-20)16-22-26(24,25)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3
InChIKeyZBVKBPGMMHDCFO-UHFFFAOYSA-N
MW372.53 g/mol
LogP3.58
Rot. Bonds7

About N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide (PubChem CID 47068811) has the molecular formula C21H28N2O2S and a molecular weight of 372.53 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
PubChem CID47068811
Molecular FormulaC21H28N2O2S
Molecular Weight372.53 g/mol
Exact Mass372.19
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O2S/c1-18-12-14-23(15-13-18)21(20-10-6-3-7-11-20)16-22-26(24,25)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3
InChIKeyZBVKBPGMMHDCFO-UHFFFAOYSA-N
XLogP3.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.53
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide (CID 47068811) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide is CC1CCN(C(CNS(=O)(=O)Cc2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
The InChIKey is ZBVKBPGMMHDCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2S/c1-18-12-14-23(15-13-18)21(20-10-6-3-7-11-20)16-22-26(24,25)17-19-8-4-2-5-9-19/h2-11,18,21-22H,12-17H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide has a molecular weight of 372.53 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 47068811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).