5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide

C18H21FN2O5S — CID 87494500

IUPAC5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCN=S(=O)=O.CCc1ccc(Oc2ccccc2F)c(O)c1
InChIInChI=1S/C14H13FO2.C4H8N2O3S/c1-2-10-7-8-14(12(16)9-10)17-13-6-4-3-5-11(13)15;1-4(7)5-2-3-6-10(8)9/h3-9,16H,2H2,1H3;2-3H2,1H3,(H,5,7)
InChIKeyIZBGZRWHFIRDBL-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.07
Rot. Bonds6

About 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide

5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide (PubChem CID 87494500) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide.

Molecular Properties

Compound Name5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide
PubChem CID87494500
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide
SMILESCC(=O)NCCN=S(=O)=O.CCc1ccc(Oc2ccccc2F)c(O)c1
InChIInChI=1S/C14H13FO2.C4H8N2O3S/c1-2-10-7-8-14(12(16)9-10)17-13-6-4-3-5-11(13)15;1-4(7)5-2-3-6-10(8)9/h3-9,16H,2H2,1H3;2-3H2,1H3,(H,5,7)
InChIKeyIZBGZRWHFIRDBL-UHFFFAOYSA-N
XLogP3.07
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol
CID 143582789
N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
CID 59191345
2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
CID 59191391
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
CID 158233848
1-[2-(4-ethyl-2-methoxyphenoxy)-6-fluorophenyl]ethanone
CID 107665218
5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol;3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoroanilino]propan-1-ol;methane
CID 159701037
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
N-[5-[[3-fluoro-4-(2-fluorophenoxy)phenyl]methylsulfamoyl]-2-methylphenyl]acetamide
CID 166215260
4-ethyl-2-(5-ethyl-2-hydroxyphenoxy)phenol
CID 18691745
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
acetic acid;5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenol;[5-ethyl-2-[(6-fluoro-2-pyridinyl)oxy]phenyl] acetate;methane
CID 159307122
4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 160552238

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide?
The IUPAC name of 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide (CID 87494500) is 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide.
What is the SMILES notation for 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide?
The canonical SMILES for 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide is CC(=O)NCCN=S(=O)=O.CCc1ccc(Oc2ccccc2F)c(O)c1.
What is the InChIKey of 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide?
The InChIKey is IZBGZRWHFIRDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2.C4H8N2O3S/c1-2-10-7-8-14(12(16)9-10)17-13-6-4-3-5-11(13)15;1-4(7)5-2-3-6-10(8)9/h3-9,16H,2H2,1H3;2-3H2,1H3,(H,5,7).
What are the key properties of 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide?
5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide has a molecular weight of 396.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide is sourced from PubChem (CID 87494500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).