N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide

C22H20N2O2S — CID 2905281

IUPACN-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-12-14-19(15-13-18)24-22(26)21(17-8-4-2-5-9-17)27-20-10-6-3-7-11-20/h2-15,21H,1H3,(H,23,25)(H,24,26)
InChIKeyLLIQMUZQAJRYLR-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.12
Rot. Bonds6

About N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide

N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 2905281) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
PubChem CID2905281
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC NameN-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide
SMILESCC(=O)Nc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-12-14-19(15-13-18)24-22(26)21(17-8-4-2-5-9-17)27-20-10-6-3-7-11-20/h2-15,21H,1H3,(H,23,25)(H,24,26)
InChIKeyLLIQMUZQAJRYLR-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide (CID 2905281) is N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide is CC(=O)Nc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is LLIQMUZQAJRYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-16(25)23-18-12-14-19(15-13-18)24-22(26)21(17-8-4-2-5-9-17)27-20-10-6-3-7-11-20/h2-15,21H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide?
N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 376.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 2905281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).