2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C19H20FNO2S2 — CID 55386903

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCSc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2S2/c1-13-3-6-16(7-4-13)24-10-9-21-19(23)12-25-18-8-5-15(14(2)22)11-17(18)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyNPWUBDNBYJDFIZ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.34
Rot. Bonds8

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 55386903) has the molecular formula C19H20FNO2S2 and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID55386903
Molecular FormulaC19H20FNO2S2
Molecular Weight377.51 g/mol
Exact Mass377.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCC(=O)c1ccc(SCC(=O)NCCSc2ccc(C)cc2)c(F)c1
InChIInChI=1S/C19H20FNO2S2/c1-13-3-6-16(7-4-13)24-10-9-21-19(23)12-25-18-8-5-15(14(2)22)11-17(18)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyNPWUBDNBYJDFIZ-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 55386903) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is CC(=O)c1ccc(SCC(=O)NCCSc2ccc(C)cc2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is NPWUBDNBYJDFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S2/c1-13-3-6-16(7-4-13)24-10-9-21-19(23)12-25-18-8-5-15(14(2)22)11-17(18)20/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 377.51 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 55386903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).