2-phenacylsulfanyl-N-phenylacetamide

C16H15NO2S — CID 569693

IUPAC2-phenacylsulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-15(13-7-3-1-4-8-13)11-20-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyKYZMLPFZPQJQFZ-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.24
Rot. Bonds6

About 2-phenacylsulfanyl-N-phenylacetamide

2-phenacylsulfanyl-N-phenylacetamide (PubChem CID 569693) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-phenacylsulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-phenacylsulfanyl-N-phenylacetamide
PubChem CID569693
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name2-phenacylsulfanyl-N-phenylacetamide
SMILESO=C(CSCC(=O)c1ccccc1)Nc1ccccc1
InChIInChI=1S/C16H15NO2S/c18-15(13-7-3-1-4-8-13)11-20-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19)
InChIKeyKYZMLPFZPQJQFZ-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-N-phenylacetamide
CID 9145917
N-(4-ethoxyphenyl)-2-phenacylsulfanylacetamide
CID 23408886
N-(4-chlorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylacetamide
CID 9145872
2-(2-anilino-2-oxoethyl)sulfanylacetate
CID 5216476
2-benzylsulfanyl-N-phenylacetamide
CID 584914
4-oxo-N,4-diphenylbutanamide
CID 825307
N-(1H-indazol-6-yl)-2-phenacylsulfanylacetamide
CID 122133610
3-[[2-(2-anilino-2-oxoethyl)sulfanylacetyl]amino]propanoic acid
CID 82032731
(2S)-2-[(2-phenacylsulfanylacetyl)amino]propanoic acid
CID 119238424
2-(2-anilino-2-oxoethyl)sulfanyl-N-(2-phenylethyl)acetamide
CID 7574875
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-cyclopentyl-2-phenacylsulfanylacetamide
CID 126798493

Frequently Asked Questions

What is the IUPAC name of 2-phenacylsulfanyl-N-phenylacetamide?
The IUPAC name of 2-phenacylsulfanyl-N-phenylacetamide (CID 569693) is 2-phenacylsulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-phenacylsulfanyl-N-phenylacetamide?
The canonical SMILES for 2-phenacylsulfanyl-N-phenylacetamide is O=C(CSCC(=O)c1ccccc1)Nc1ccccc1.
What is the InChIKey of 2-phenacylsulfanyl-N-phenylacetamide?
The InChIKey is KYZMLPFZPQJQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c18-15(13-7-3-1-4-8-13)11-20-12-16(19)17-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,17,19).
What are the key properties of 2-phenacylsulfanyl-N-phenylacetamide?
2-phenacylsulfanyl-N-phenylacetamide has a molecular weight of 285.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenacylsulfanyl-N-phenylacetamide is sourced from PubChem (CID 569693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).