N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide

C27H32N2O3S — CID 19438346

IUPACN-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H32N2O3S/c1-33(30,31)28-25-16-10-11-22(21-25)18-20-29-19-9-8-17-26(29)32-27(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-16,21,26-28H,8-9,17-20H2,1H3
InChIKeyLVLYOSMSWYLMKC-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.22
Rot. Bonds9

About N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide

N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 19438346) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
PubChem CID19438346
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C27H32N2O3S/c1-33(30,31)28-25-16-10-11-22(21-25)18-20-29-19-9-8-17-26(29)32-27(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-16,21,26-28H,8-9,17-20H2,1H3
InChIKeyLVLYOSMSWYLMKC-UHFFFAOYSA-N
XLogP5.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide (CID 19438346) is N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CCN2CCCCC2OC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is LVLYOSMSWYLMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-33(30,31)28-25-16-10-11-22(21-25)18-20-29-19-9-8-17-26(29)32-27(23-12-4-2-5-13-23)24-14-6-3-7-15-24/h2-7,10-16,21,26-28H,8-9,17-20H2,1H3.
What are the key properties of N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 464.63 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 19438346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).