N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide

C28H33FN2O2S — CID 23108963

IUPACN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(Cc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H33FN2O2S/c1-22-7-9-24(10-8-22)20-31(34(2,32)33)21-26-5-3-4-6-28(26)25-15-17-30(18-16-25)19-23-11-13-27(29)14-12-23/h3-14,25H,15-21H2,1-2H3
InChIKeyALJNEENORPMBDB-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.48
Rot. Bonds8

About N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide

N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide (PubChem CID 23108963) has the molecular formula C28H33FN2O2S and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
PubChem CID23108963
Molecular FormulaC28H33FN2O2S
Molecular Weight480.65 g/mol
Exact Mass480.22
IUPAC NameN-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccc(CN(Cc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)S(C)(=O)=O)cc1
InChIInChI=1S/C28H33FN2O2S/c1-22-7-9-24(10-8-22)20-31(34(2,32)33)21-26-5-3-4-6-28(26)25-15-17-30(18-16-25)19-23-11-13-27(29)14-12-23/h3-14,25H,15-21H2,1-2H3
InChIKeyALJNEENORPMBDB-UHFFFAOYSA-N
XLogP5.48
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide (CID 23108963) is N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide is Cc1ccc(CN(Cc2ccccc2C2CCN(Cc3ccc(F)cc3)CC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
The InChIKey is ALJNEENORPMBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2S/c1-22-7-9-24(10-8-22)20-31(34(2,32)33)21-26-5-3-4-6-28(26)25-15-17-30(18-16-25)19-23-11-13-27(29)14-12-23/h3-14,25H,15-21H2,1-2H3.
What are the key properties of N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide?
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide has a molecular weight of 480.65 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-N-[(4-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 23108963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).