N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

C16H19NO3S — CID 3672307

IUPACN-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13(15-8-10-16(20-2)11-9-15)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyPLBYZVFIVNRUAW-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.88
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide

N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (PubChem CID 3672307) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
PubChem CID3672307
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
SMILESCOc1ccc(C(C)NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C16H19NO3S/c1-13(15-8-10-16(20-2)11-9-15)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3
InChIKeyPLBYZVFIVNRUAW-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide (CID 3672307) is N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is COc1ccc(C(C)NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is PLBYZVFIVNRUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13(15-8-10-16(20-2)11-9-15)17-21(18,19)12-14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide?
N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 3672307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).