2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide

C12H16N2O2S — CID 35964472

IUPAC2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O2S/c1-3-13-12(16)8-17-11-6-4-10(5-7-11)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKOYLUBKNADNHSL-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide

2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide (PubChem CID 35964472) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
PubChem CID35964472
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
SMILESCCNC(=O)CSc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H16N2O2S/c1-3-13-12(16)8-17-11-6-4-10(5-7-11)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKOYLUBKNADNHSL-UHFFFAOYSA-N
XLogP1.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-(4-methylsulfanylphenyl)acetamide
CID 42154208
2-(4-acetamidophenyl)sulfanyl-N-[(2S)-butan-2-yl]acetamide
CID 2124176
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
2-(4-acetamidophenyl)sulfanyl-N-(4-tert-butylphenyl)acetamide
CID 40604506
potassium 2-(4-acetamidophenyl)sulfanylacetate
CID 23700024
2-(4-acetamidophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 2537006
N-(4-acetamidophenyl)-2-pyridin-4-ylsulfanylacetamide
CID 51160435
2-(4-ethoxyphenyl)sulfanyl-N-ethylacetamide
CID 60651157
2-[4-(1-aminopropyl)phenyl]sulfanyl-N-ethylacetamide
CID 114233854
2-(4-acetamidophenyl)sulfanyl-N-(2-thiophen-2-ylethyl)acetamide
CID 51153283
2-(4-acetamidophenyl)sulfanyl-N-[[4-(diethylsulfamoyl)phenyl]methyl]acetamide
CID 17438919
2-(4-acetamidophenyl)sulfanyl-N-[3-(N-methylanilino)propyl]acetamide
CID 40689481

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide (CID 35964472) is 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide is CCNC(=O)CSc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide?
The InChIKey is KOYLUBKNADNHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-13-12(16)8-17-11-6-4-10(5-7-11)14-9(2)15/h4-7H,3,8H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide?
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 35964472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).