N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide

C17H19NO5S — CID 692180

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(10-14)18-17(20)11-23-13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyQLMVIDYPIAELMH-UHFFFAOYSA-N
MW349.41 g/mol
LogP2.51
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide (PubChem CID 692180) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
PubChem CID692180
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(10-14)18-17(20)11-23-13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyQLMVIDYPIAELMH-UHFFFAOYSA-N
XLogP2.51
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

Acetamide, N-[5-[(2-hydroxyethyl)sulfonyl]-2-methoxyphenyl]-
CID 13651552
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-3-phenyl-acrylamide
CID 732138
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenoxy)acetamide
CID 3647605
N-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1194335
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-phenoxyacetamide
CID 680610
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-propylphenoxy)acetamide
CID 1112404
2-(4-ethylphenoxy)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]acetamide
CID 1190076
3-benzylsulfonyl-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]propanamide
CID 2973048
N-(3,4-Dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-YL)sulfonyl]butanamide
CID 16021342
N-methyl-N-(4-methylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]butanamide
CID 16021360
N-(2,3-Dimethylphenyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-YL)sulfonyl]butanamide
CID 20909834

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide (CID 692180) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(C)cc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
The InChIKey is QLMVIDYPIAELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-3-24(21,22)14-8-9-16(19)15(10-14)18-17(20)11-23-13-6-4-12(2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide has a molecular weight of 349.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 692180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).