N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

C17H15FN2O3S — CID 3238803

IUPACN-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NCCOc1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c18-12-5-1-3-7-14(12)23-10-9-19-16(21)11-20-13-6-2-4-8-15(13)24-17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyQULUKOICHFEIJD-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.40
Rot. Bonds6

About N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide

N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (PubChem CID 3238803) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
PubChem CID3238803
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)sc2ccccc21)NCCOc1ccccc1F
InChIInChI=1S/C17H15FN2O3S/c18-12-5-1-3-7-14(12)23-10-9-19-16(21)11-20-13-6-2-4-8-15(13)24-17(20)22/h1-8H,9-11H2,(H,19,21)
InChIKeyQULUKOICHFEIJD-UHFFFAOYSA-N
XLogP2.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The IUPAC name of N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide (CID 3238803) is N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is O=C(Cn1c(=O)sc2ccccc21)NCCOc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
The InChIKey is QULUKOICHFEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c18-12-5-1-3-7-14(12)23-10-9-19-16(21)11-20-13-6-2-4-8-15(13)24-17(20)22/h1-8H,9-11H2,(H,19,21).
What are the key properties of N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide?
N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)ethyl]-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide is sourced from PubChem (CID 3238803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).