N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide

C16H17NO5S — CID 680610

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H17NO5S/c1-2-23(20,21)13-8-9-15(18)14(10-13)17-16(19)11-22-12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyZOBRSWRGGHKSBA-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.20
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide (PubChem CID 680610) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide
PubChem CID680610
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide
SMILESCCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1
InChIInChI=1S/C16H17NO5S/c1-2-23(20,21)13-8-9-15(18)14(10-13)17-16(19)11-22-12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,17,19)
InChIKeyZOBRSWRGGHKSBA-UHFFFAOYSA-N
XLogP2.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.20
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-(2-ethoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3360803
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 1194335
N-(5-Ethanesulfonyl-2-hydroxy-phenyl)-2-p-tolyloxy-acetamide
CID 692180
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N-(2-ethoxyphenyl)-2-phenylsulfanylacetamide
CID 879968
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-propylphenoxy)acetamide
CID 1112404
2-(4-ethylphenoxy)-N-[5-(ethylsulfonyl)-2-hydroxyphenyl]acetamide
CID 1190076
6-(ethylsulfonyl)-N-(2-methoxyethyl)-4-(methylsulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 3817476
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 5018671
N-[2-methoxy-5-(morpholin-4-ylsulfonyl)phenyl]-2-phenoxyacetamide
CID 6485568
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-phenylsulfanylbutanamide
CID 8151894

Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide (CID 680610) is N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide is CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide?
The InChIKey is ZOBRSWRGGHKSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-2-23(20,21)13-8-9-15(18)14(10-13)17-16(19)11-22-12-6-4-3-5-7-12/h3-10,18H,2,11H2,1H3,(H,17,19).
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)-2-phenoxyacetamide has a molecular weight of 335.38 g/mol, XLogP of 2.20, 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-phenoxyacetamide is sourced from PubChem (CID 680610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).