N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide

C17H21NO3S — CID 20769897

IUPACN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3
InChIKeyLVIZXFACOGWVCM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.93
Rot. Bonds6

About N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide

N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide (PubChem CID 20769897) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
PubChem CID20769897
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC NameN-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide
SMILESCc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O
InChIInChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3
InChIKeyLVIZXFACOGWVCM-UHFFFAOYSA-N
XLogP2.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide (CID 20769897) is N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide is Cc1cc(-c2ccccc2)ccc1OCCN(C)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
The InChIKey is LVIZXFACOGWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-14-13-16(15-7-5-4-6-8-15)9-10-17(14)21-12-11-18(2)22(3,19)20/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide?
N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(2-methyl-4-phenylphenoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 20769897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).