2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide

C22H20N2O2S — CID 2124005

IUPAC2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-11-13-19(14-12-18)27-15-22(26)24-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyPULNKMUBRLIMSY-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.04
Rot. Bonds6

About 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide

2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide (PubChem CID 2124005) has the molecular formula C22H20N2O2S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
PubChem CID2124005
Molecular FormulaC22H20N2O2S
Molecular Weight376.48 g/mol
Exact Mass376.12
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide
SMILESCC(=O)Nc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O2S/c1-16(25)23-18-11-13-19(14-12-18)27-15-22(26)24-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)(H,24,26)
InChIKeyPULNKMUBRLIMSY-UHFFFAOYSA-N
XLogP5.04
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 ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide (CID 2124005) is 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide is CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide?
The InChIKey is PULNKMUBRLIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2S/c1-16(25)23-18-11-13-19(14-12-18)27-15-22(26)24-21-10-6-5-9-20(21)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide?
2-(4-acetamidophenyl)sulfanyl-N-(2-phenylphenyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 5.04, 6 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-(2-phenylphenyl)acetamide is sourced from PubChem (CID 2124005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).