N-(3-phenacylsulfanylphenyl)acetamide

C16H15NO2S — CID 19299397

IUPACN-(3-phenacylsulfanylphenyl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2S/c1-12(18)17-14-8-5-9-15(10-14)20-11-16(19)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyLSPVDEDOKVEGIT-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds5

About N-(3-phenacylsulfanylphenyl)acetamide

N-(3-phenacylsulfanylphenyl)acetamide (PubChem CID 19299397) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(3-phenacylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-phenacylsulfanylphenyl)acetamide
PubChem CID19299397
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN-(3-phenacylsulfanylphenyl)acetamide
SMILESCC(=O)Nc1cccc(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C16H15NO2S/c1-12(18)17-14-8-5-9-15(10-14)20-11-16(19)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18)
InChIKeyLSPVDEDOKVEGIT-UHFFFAOYSA-N
XLogP3.62
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299396
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299398
1-(4-acetylphenyl)-3-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]thiourea
CID 19300140
1-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylthiourea
CID 19300075
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299425
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-2-phenoxyacetamide
CID 19299690
N-(2-methyl-4-pyridinyl)-3-phenacylsulfanylbenzamide
CID 84552750
N,N-dimethyl-3-phenacylsulfanylbenzamide
CID 84558154
2-(3-acetamidophenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 18901028
N-[3-[2-(4-bromophenyl)-2-oxoethyl]sulfanylphenyl]butanamide
CID 19299435

Frequently Asked Questions

What is the IUPAC name of N-(3-phenacylsulfanylphenyl)acetamide?
The IUPAC name of N-(3-phenacylsulfanylphenyl)acetamide (CID 19299397) is N-(3-phenacylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(3-phenacylsulfanylphenyl)acetamide?
The canonical SMILES for N-(3-phenacylsulfanylphenyl)acetamide is CC(=O)Nc1cccc(SCC(=O)c2ccccc2)c1.
What is the InChIKey of N-(3-phenacylsulfanylphenyl)acetamide?
The InChIKey is LSPVDEDOKVEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12(18)17-14-8-5-9-15(10-14)20-11-16(19)13-6-3-2-4-7-13/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N-(3-phenacylsulfanylphenyl)acetamide?
N-(3-phenacylsulfanylphenyl)acetamide has a molecular weight of 285.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenacylsulfanylphenyl)acetamide is sourced from PubChem (CID 19299397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).