2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide

C16H19NO4S — CID 90518388

IUPAC2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO4S/c1-13-4-3-5-14(12-13)17-22(18,19)11-10-21-16-8-6-15(20-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyZSEWJSBHTCHOIY-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.82
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide

2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide (PubChem CID 90518388) has the molecular formula C16H19NO4S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
PubChem CID90518388
Molecular FormulaC16H19NO4S
Molecular Weight321.40 g/mol
Exact Mass321.10
IUPAC Name2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C16H19NO4S/c1-13-4-3-5-14(12-13)17-22(18,19)11-10-21-16-8-6-15(20-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3
InChIKeyZSEWJSBHTCHOIY-UHFFFAOYSA-N
XLogP2.82
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylphenyl)-2-phenoxyethanesulfonamide
CID 90518173
N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
N-(3-bromophenyl)-2-phenoxyethanesulfonamide
CID 56764854
2-(4-methoxyphenoxy)-N-(2-methyl-1,3-benzothiazol-5-yl)ethanesulfonamide
CID 56764872
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
4-(4-methoxyphenoxy)-N-(3-methylphenyl)butanamide
CID 7732946
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
methyl 3-[4-[(3-methylphenyl)sulfamoyl]phenoxy]propanoate
CID 47062658
3-iodo-N-(3-methylphenyl)propane-1-sulfonamide
CID 146534327

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide (CID 90518388) is 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide?
The InChIKey is ZSEWJSBHTCHOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S/c1-13-4-3-5-14(12-13)17-22(18,19)11-10-21-16-8-6-15(20-2)7-9-16/h3-9,12,17H,10-11H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide?
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 90518388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).