N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide

C25H23FN2OS — CID 43990111

IUPACN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C25H23FN2OS/c1-17(2)20-13-11-18(12-14-20)15-23(29)28(16-19-7-4-3-5-8-19)25-27-24-21(26)9-6-10-22(24)30-25/h3-14,17H,15-16H2,1-2H3
InChIKeyPDXPXRZGHIYZAY-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.33
Rot. Bonds6

About N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 43990111) has the molecular formula C25H23FN2OS and a molecular weight of 418.54 g/mol. Its IUPAC name is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID43990111
Molecular FormulaC25H23FN2OS
Molecular Weight418.54 g/mol
Exact Mass418.15
IUPAC NameN-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1
InChIInChI=1S/C25H23FN2OS/c1-17(2)20-13-11-18(12-14-20)15-23(29)28(16-19-7-4-3-5-8-19)25-27-24-21(26)9-6-10-22(24)30-25/h3-14,17H,15-16H2,1-2H3
InChIKeyPDXPXRZGHIYZAY-UHFFFAOYSA-N
XLogP6.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 41109949
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide
CID 43990108
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxy-3-methylphenyl)acetamide
CID 16848558
N-benzyl-2-(4-ethylsulfanylphenyl)-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 43989984
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 41362900
N-benzyl-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 41116032
N-benzyl-2-(4-chlorophenoxy)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41109919
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16839144
N-benzyl-N-(4-ethyl-1,3-benzothiazol-2-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 41146462
N-[2-(dimethylamino)ethyl]-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 8718729
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-naphthalen-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 16821548
N-benzyl-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)acetamide
CID 16939048

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide (CID 43990111) is N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1.
What is the InChIKey of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is PDXPXRZGHIYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2OS/c1-17(2)20-13-11-18(12-14-20)15-23(29)28(16-19-7-4-3-5-8-19)25-27-24-21(26)9-6-10-22(24)30-25/h3-14,17H,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide?
N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 418.54 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 43990111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).