2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide

C16H19NO4S2 — CID 90518426

IUPAC2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H19NO4S2/c1-20-13-7-9-14(10-8-13)21-11-12-23(18,19)17-15-5-3-4-6-16(15)22-2/h3-10,17H,11-12H2,1-2H3
InChIKeyPWZUQJAKLBFJQJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds8

About 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide

2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide (PubChem CID 90518426) has the molecular formula C16H19NO4S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
PubChem CID90518426
Molecular FormulaC16H19NO4S2
Molecular Weight353.47 g/mol
Exact Mass353.08
IUPAC Name2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)Nc2ccccc2SC)cc1
InChIInChI=1S/C16H19NO4S2/c1-20-13-7-9-14(10-8-13)21-11-12-23(18,19)17-15-5-3-4-6-16(15)22-2/h3-10,17H,11-12H2,1-2H3
InChIKeyPWZUQJAKLBFJQJ-UHFFFAOYSA-N
XLogP3.24
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-phenoxyethanesulfonamide
CID 90518196
methyl 4-[(2-methylsulfanylphenyl)sulfamoyl]butanoate
CID 61460153
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
2-(4-methoxyphenoxy)-N-(3-methylphenyl)ethanesulfonamide
CID 90518388
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 7688925
2-(4-methoxyphenoxy)-N-(3-methyl-2-pyridinyl)ethanesulfonamide
CID 90518353
2-phenoxy-N-(2-phenoxyphenyl)ethanesulfonamide
CID 90518283
4-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzenesulfonamide
CID 90518362
dimethyl 2-[2-(4-methoxyphenoxy)ethylsulfonylamino]benzene-1,4-dicarboxylate
CID 90518370
2-(4-fluorophenoxy)-N-[2-(trifluoromethoxy)phenyl]ethanesulfonamide
CID 90518656
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide (CID 90518426) is 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)Nc2ccccc2SC)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide?
The InChIKey is PWZUQJAKLBFJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4S2/c1-20-13-7-9-14(10-8-13)21-11-12-23(18,19)17-15-5-3-4-6-16(15)22-2/h3-10,17H,11-12H2,1-2H3.
What are the key properties of 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide?
2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide has a molecular weight of 353.47 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-(2-methylsulfanylphenyl)ethanesulfonamide is sourced from PubChem (CID 90518426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).