N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide

C23H17FN2O2S — CID 2573049

IUPACN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17FN2O2S/c1-15(27)16-10-12-18(13-11-16)26(22(28)14-17-6-2-3-7-19(17)24)23-25-20-8-4-5-9-21(20)29-23/h2-13H,14H2,1H3
InChIKeyUZRIWLIPGJGHJB-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.55
Rot. Bonds5

About N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide

N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 2573049) has the molecular formula C23H17FN2O2S and a molecular weight of 404.47 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
PubChem CID2573049
Molecular FormulaC23H17FN2O2S
Molecular Weight404.47 g/mol
Exact Mass404.10
IUPAC NameN-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(=O)c1ccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)cc1
InChIInChI=1S/C23H17FN2O2S/c1-15(27)16-10-12-18(13-11-16)26(22(28)14-17-6-2-3-7-19(17)24)23-25-20-8-4-5-9-21(20)29-23/h2-13H,14H2,1H3
InChIKeyUZRIWLIPGJGHJB-UHFFFAOYSA-N
XLogP5.55
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
CID 2550239
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-3-phenylpropanamide
CID 8696722
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-(1,3-benzothiazol-2-yl)-N-(4-fluorophenyl)-2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)acetamide
CID 4965269
N-(1,3-benzothiazol-2-yl)-4-chloro-N-(4-ethylphenyl)benzamide
CID 2345159
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2522203
N-(1,3-benzothiazol-2-yl)-2-(4-phenylphenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2461820
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-4-methoxy-3-nitrobenzamide
CID 4787357
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethylanilino]-3-oxopropyl]-2,4-difluorobenzamide
CID 24657044
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775525

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide (CID 2573049) is N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide is CC(=O)c1ccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is UZRIWLIPGJGHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN2O2S/c1-15(27)16-10-12-18(13-11-16)26(22(28)14-17-6-2-3-7-19(17)24)23-25-20-8-4-5-9-21(20)29-23/h2-13H,14H2,1H3.
What are the key properties of N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide?
N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 404.47 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 2573049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).