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

C23H18F2N2O2S — CID 155545668

IUPAC2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O2S/c24-17-8-5-15(6-9-17)11-12-26-22(28)13-16-7-10-18(14-19(16)25)29-23-27-20-3-1-2-4-21(20)30-23/h1-10,14H,11-13H2,(H,26,28)
InChIKeyPQOJWVHLJYMILK-UHFFFAOYSA-N
MW424.47 g/mol
LogP5.27
Rot. Bonds7

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

2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 155545668) has the molecular formula C23H18F2N2O2S and a molecular weight of 424.47 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID155545668
Molecular FormulaC23H18F2N2O2S
Molecular Weight424.47 g/mol
Exact Mass424.11
IUPAC Name2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESO=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O2S/c24-17-8-5-15(6-9-17)11-12-26-22(28)13-16-7-10-18(14-19(16)25)29-23-27-20-3-1-2-4-21(20)30-23/h1-10,14H,11-13H2,(H,26,28)
InChIKeyPQOJWVHLJYMILK-UHFFFAOYSA-N
XLogP5.27
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)pyrrolidin-2-one
CID 11189372
N-{1-[4-(Benzothiazol-2-yloxy)-benzyl]-piperidin-4-yl}-2-hydroxy-acetamide
CID 11200344
1-(1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)pyrrolidin-2-one
CID 11223519
1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidine-4-carboxamide
CID 11291973
2-{4-[2-(Piperidin-1-yl)ethyl]phenoxy}-1,3-benzothiazole
CID 11427736
2-[4-(Piperidin-1-ylmethyl)phenoxy]-1,3-benzothiazole
CID 11472798
N-(1-{2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)acetamide
CID 24901588
[(1-{2-[4-(1,3-Benzothiazol-2-yloxy)phenyl]ethyl}piperidin-4-yl)carbamoyl]methyl acetate
CID 24901589
1-{[4-(1,3-Benzothiazol-2-yloxy)phenyl]methyl}piperidine-4-carboxamide
CID 24901590
N-(1-{[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl}piperidin-4-yl)acetamide
CID 24901591
acs.jmedchem.1c00409_ST.183
CID 71739726
acs.jmedchem.1c00409_ST.203
CID 71739727

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 155545668) is 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is O=C(Cc1ccc(Oc2nc3ccccc3s2)cc1F)NCCc1ccc(F)cc1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is PQOJWVHLJYMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O2S/c24-17-8-5-15(6-9-17)11-12-26-22(28)13-16-7-10-18(14-19(16)25)29-23-27-20-3-1-2-4-21(20)30-23/h1-10,14H,11-13H2,(H,26,28).
What are the key properties of 2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[4-(1,3-benzothiazol-2-yloxy)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 424.47 g/mol, XLogP of 5.27, 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)-2-fluorophenyl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 155545668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).