2-(2-tritylsulfanylethylamino)acetamide

C23H24N2OS — CID 140602369

IUPAC2-(2-tritylsulfanylethylamino)acetamide
SMILESNC(=O)CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2OS/c24-22(26)18-25-16-17-27-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,25H,16-18H2,(H2,24,26)
InChIKeyAXIZVSAPWGXCLS-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.79
Rot. Bonds9

About 2-(2-tritylsulfanylethylamino)acetamide

2-(2-tritylsulfanylethylamino)acetamide (PubChem CID 140602369) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-(2-tritylsulfanylethylamino)acetamide.

Molecular Properties

Compound Name2-(2-tritylsulfanylethylamino)acetamide
PubChem CID140602369
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name2-(2-tritylsulfanylethylamino)acetamide
SMILESNC(=O)CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2OS/c24-22(26)18-25-16-17-27-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,25H,16-18H2,(H2,24,26)
InChIKeyAXIZVSAPWGXCLS-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tritylsulfanylethylamino)acetamide?
The IUPAC name of 2-(2-tritylsulfanylethylamino)acetamide (CID 140602369) is 2-(2-tritylsulfanylethylamino)acetamide.
What is the SMILES notation for 2-(2-tritylsulfanylethylamino)acetamide?
The canonical SMILES for 2-(2-tritylsulfanylethylamino)acetamide is NC(=O)CNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-tritylsulfanylethylamino)acetamide?
The InChIKey is AXIZVSAPWGXCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c24-22(26)18-25-16-17-27-23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,25H,16-18H2,(H2,24,26).
What are the key properties of 2-(2-tritylsulfanylethylamino)acetamide?
2-(2-tritylsulfanylethylamino)acetamide has a molecular weight of 376.53 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tritylsulfanylethylamino)acetamide is sourced from PubChem (CID 140602369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).