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

C28H34N2O3S — CID 10184219

IUPACN-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O3S/c1-34(31,32)29-27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28-29H,16-22H2,1H3
InChIKeyPAHPPCVLEUXOFZ-UHFFFAOYSA-N
MW478.66 g/mol
LogP5.47
Rot. Bonds10

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

N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 10184219) has the molecular formula C28H34N2O3S and a molecular weight of 478.66 g/mol. Its IUPAC name is N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID10184219
Molecular FormulaC28H34N2O3S
Molecular Weight478.66 g/mol
Exact Mass478.23
IUPAC NameN-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C28H34N2O3S/c1-34(31,32)29-27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28-29H,16-22H2,1H3
InChIKeyPAHPPCVLEUXOFZ-UHFFFAOYSA-N
XLogP5.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.66
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 10184219) is N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is PAHPPCVLEUXOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3S/c1-34(31,32)29-27-14-12-24(13-15-27)22-30-19-16-23(17-20-30)18-21-33-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,23,28-29H,16-22H2,1H3.
What are the key properties of N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 478.66 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(2-benzhydryloxyethyl)piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 10184219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).