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

C17H19NO6S — CID 1194335

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C17H19NO6S/c1-3-25(21,22)14-8-9-16(19)15(10-14)18-17(20)11-24-13-6-4-12(23-2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyFGCWLLOXWVFLOV-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.21
Rot. Bonds7

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

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 1194335) has the molecular formula C17H19NO6S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
PubChem CID1194335
Molecular FormulaC17H19NO6S
Molecular Weight365.41 g/mol
Exact Mass365.09
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1
InChIInChI=1S/C17H19NO6S/c1-3-25(21,22)14-8-9-16(19)15(10-14)18-17(20)11-24-13-6-4-12(23-2)5-7-13/h4-10,19H,3,11H2,1-2H3,(H,18,20)
InChIKeyFGCWLLOXWVFLOV-UHFFFAOYSA-N
XLogP2.21
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide (CID 1194335) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is FGCWLLOXWVFLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6S/c1-3-25(21,22)14-8-9-16(19)15(10-14)18-17(20)11-24-13-6-4-12(23-2)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-methoxyphenoxy)acetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 365.41 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 1194335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).