2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide

C17H21NO3S — CID 90518837

IUPAC2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-15-9-11-17(12-10-15)21-13-14-22(19,20)18(2)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChIKeyBOROUUOPZUDSPL-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.09
Rot. Bonds7

About 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide

2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide (PubChem CID 90518837) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
PubChem CID90518837
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-15-9-11-17(12-10-15)21-13-14-22(19,20)18(2)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3
InChIKeyBOROUUOPZUDSPL-UHFFFAOYSA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518723
N-(4-ethoxyphenyl)-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342993
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
1-[2-(dimethylsulfamoylamino)ethoxy]-4-ethylbenzene
CID 113100115
1-ethyl-4-(4-phenylbutoxy)benzene
CID 71034747
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
(4-ethylphenyl) N-methyl-N-phenylcarbamate
CID 91395090
1-(4-ethylphenyl)-3-phenoxypropan-1-one
CID 62545024
N-[2-(4-ethylphenoxy)ethyl]aniline
CID 54796136
1,1,1-tribromo-N-(4-butoxyphenyl)-N-methylmethanesulfonamide
CID 23576859
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
N-benzyl-N-ethyl-3-[methyl(phenyl)sulfamoyl]propanamide
CID 110342932

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide (CID 90518837) is 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide is CCc1ccc(OCCS(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide?
The InChIKey is BOROUUOPZUDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-15-9-11-17(12-10-15)21-13-14-22(19,20)18(2)16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3.
What are the key properties of 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide?
2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-methyl-N-phenylethanesulfonamide is sourced from PubChem (CID 90518837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).