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

C22H17FN2O2S — CID 2550239

IUPACN-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)c1
InChIInChI=1S/C22H17FN2O2S/c1-27-17-9-6-8-16(14-17)25(21(26)13-15-7-2-3-10-18(15)23)22-24-19-11-4-5-12-20(19)28-22/h2-12,14H,13H2,1H3
InChIKeyCYPFUXODXJFLMA-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.35
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide (PubChem CID 2550239) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
PubChem CID2550239
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)c1
InChIInChI=1S/C22H17FN2O2S/c1-27-17-9-6-8-16(14-17)25(21(26)13-15-7-2-3-10-18(15)23)22-24-19-11-4-5-12-20(19)28-22/h2-12,14H,13H2,1H3
InChIKeyCYPFUXODXJFLMA-UHFFFAOYSA-N
XLogP5.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)acetamide
CID 2573049
N-(1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 3655810
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2526399
N-(1,3-benzothiazol-2-yl)-3-[(1,3-dioxoisoindol-2-yl)methyl]-N-(3-methoxyphenyl)benzamide
CID 166184992
N-(1,3-benzothiazol-2-yl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 34256400
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 16560119
N-(1,3-benzothiazol-2-yl)-N-(3-chlorophenyl)-3,3-diphenylpropanamide
CID 2477898
N-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-2-(2-methoxyphenoxy)acetamide
CID 2467124
N-(1,3-benzothiazol-2-yl)-N-(3-fluoro-4-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 18283172
N-(1,3-benzothiazol-2-yl)-N-[4-(difluoromethylsulfanyl)phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2461168
N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)-N-(2-methylphenyl)acetamide
CID 8582567
N-(1,3-benzothiazol-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 51333318

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide (CID 2550239) is N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide is COc1cccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide?
The InChIKey is CYPFUXODXJFLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-27-17-9-6-8-16(14-17)25(21(26)13-15-7-2-3-10-18(15)23)22-24-19-11-4-5-12-20(19)28-22/h2-12,14H,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide?
N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide has a molecular weight of 392.46 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-(2-fluorophenyl)-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2550239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).