N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

C24H21FN2O2S — CID 16848558

IUPACN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1C
InChIInChI=1S/C24H21FN2O2S/c1-16-13-18(11-12-20(16)29-2)14-22(28)27(15-17-7-4-3-5-8-17)24-26-23-19(25)9-6-10-21(23)30-24/h3-13H,14-15H2,1-2H3
InChIKeyUEIRSZIHICFECR-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.53
Rot. Bonds6

About N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (PubChem CID 16848558) has the molecular formula C24H21FN2O2S and a molecular weight of 420.51 g/mol. Its IUPAC name is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
PubChem CID16848558
Molecular FormulaC24H21FN2O2S
Molecular Weight420.51 g/mol
Exact Mass420.13
IUPAC NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
SMILESCOc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1C
InChIInChI=1S/C24H21FN2O2S/c1-16-13-18(11-12-20(16)29-2)14-22(28)27(15-17-7-4-3-5-8-17)24-26-23-19(25)9-6-10-21(23)30-24/h3-13H,14-15H2,1-2H3
InChIKeyUEIRSZIHICFECR-UHFFFAOYSA-N
XLogP5.53
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-methoxy-3-methylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 16848554
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990111
N-benzyl-N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848566
N-benzyl-N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41115490
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 16848231
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718729
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41109919
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848640
N-benzyl-N-(4-chloro-1,3-benzothiazol-2-yl)-2-(2,4,6-trimethylphenyl)acetamide
CID 43989757
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-benzyl-3-ethylsulfonyl-N-(4-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 41109971

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide (CID 16848558) is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is COc1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1C.
What is the InChIKey of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
The InChIKey is UEIRSZIHICFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O2S/c1-16-13-18(11-12-20(16)29-2)14-22(28)27(15-17-7-4-3-5-8-17)24-26-23-19(25)9-6-10-21(23)30-24/h3-13H,14-15H2,1-2H3.
What are the key properties of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide?
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide has a molecular weight of 420.51 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide is sourced from PubChem (CID 16848558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).