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

C18H21NO5S — CID 1190076

IUPAC2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1
InChIInChI=1S/C18H21NO5S/c1-3-13-5-7-14(8-6-13)24-12-18(21)19-16-11-15(9-10-17(16)20)25(22,23)4-2/h5-11,20H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyLMNTYFKGKUFFPP-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.77
Rot. Bonds7

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

2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (PubChem CID 1190076) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
PubChem CID1190076
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1
InChIInChI=1S/C18H21NO5S/c1-3-13-5-7-14(8-6-13)24-12-18(21)19-16-11-15(9-10-17(16)20)25(22,23)4-2/h5-11,20H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyLMNTYFKGKUFFPP-UHFFFAOYSA-N
XLogP2.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.77
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

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-Ethanesulfonyl-2-hydroxy-phenyl)-2-p-tolyloxy-acetamide
CID 692180
N-[5-(ethylsulfonyl)-2-hydroxyphenyl]-2-(4-propylphenoxy)acetamide
CID 1112404
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
N-(4-methoxybenzyl)-3-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]butanamide
CID 20909842

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide (CID 1190076) is 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
The InChIKey is LMNTYFKGKUFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-3-13-5-7-14(8-6-13)24-12-18(21)19-16-11-15(9-10-17(16)20)25(22,23)4-2/h5-11,20H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide?
2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide has a molecular weight of 363.44 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(5-ethylsulfonyl-2-hydroxyphenyl)acetamide is sourced from PubChem (CID 1190076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).