N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide

C23H18FN3OS — CID 55856245

IUPACN-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18FN3OS/c24-20-15-18(11-12-21(20)27-14-13-25-16-27)26-23(28)22(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-16,22H,(H,26,28)
InChIKeyAOFFSCIOPHZPOX-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.48
Rot. Bonds6

About N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 55856245) has the molecular formula C23H18FN3OS and a molecular weight of 403.48 g/mol. Its IUPAC name is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID55856245
Molecular FormulaC23H18FN3OS
Molecular Weight403.48 g/mol
Exact Mass403.12
IUPAC NameN-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESO=C(Nc1ccc(-n2ccnc2)c(F)c1)C(Sc1ccccc1)c1ccccc1
InChIInChI=1S/C23H18FN3OS/c24-20-15-18(11-12-21(20)27-14-13-25-16-27)26-23(28)22(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-16,22H,(H,26,28)
InChIKeyAOFFSCIOPHZPOX-UHFFFAOYSA-N
XLogP5.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 55856245) is N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide is O=C(Nc1ccc(-n2ccnc2)c(F)c1)C(Sc1ccccc1)c1ccccc1.
What is the InChIKey of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is AOFFSCIOPHZPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3OS/c24-20-15-18(11-12-21(20)27-14-13-25-16-27)26-23(28)22(17-7-3-1-4-8-17)29-19-9-5-2-6-10-19/h1-16,22H,(H,26,28).
What are the key properties of N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 403.48 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-imidazol-1-ylphenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 55856245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).