2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C23H19FN2O2S — CID 155535260

IUPAC2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27)
InChIKeyLDUMORNZABUPQN-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.13
Rot. Bonds7

About 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 155535260) has the molecular formula C23H19FN2O2S and a molecular weight of 406.48 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID155535260
Molecular FormulaC23H19FN2O2S
Molecular Weight406.48 g/mol
Exact Mass406.12
IUPAC Name2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1)NCCc1ccc(F)cc1
InChIInChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27)
InChIKeyLDUMORNZABUPQN-UHFFFAOYSA-N
XLogP5.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 155535260) is 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is LDUMORNZABUPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2S/c24-18-9-5-16(6-10-18)13-14-25-22(27)15-17-7-11-19(12-8-17)28-23-26-20-3-1-2-4-21(20)29-23/h1-12H,13-15H2,(H,25,27).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 406.48 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yloxy)phenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 155535260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).