2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide

C20H16FNOS — CID 1248008

IUPAC2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H16FNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyIONINCKATSBWFT-UHFFFAOYSA-N
MW337.42 g/mol
LogP5.16
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide

2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide (PubChem CID 1248008) has the molecular formula C20H16FNOS and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
PubChem CID1248008
Molecular FormulaC20H16FNOS
Molecular Weight337.42 g/mol
Exact Mass337.09
IUPAC Name2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1
InChIInChI=1S/C20H16FNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23)
InChIKeyIONINCKATSBWFT-UHFFFAOYSA-N
XLogP5.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.42
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide (CID 1248008) is 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide is O=C(Cc1ccc(F)cc1)Nc1ccccc1Sc1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
The InChIKey is IONINCKATSBWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNOS/c21-16-12-10-15(11-13-16)14-20(23)22-18-8-4-5-9-19(18)24-17-6-2-1-3-7-17/h1-13H,14H2,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide?
2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide has a molecular weight of 337.42 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-phenylsulfanylphenyl)acetamide is sourced from PubChem (CID 1248008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).