2-tritylsulfanylacetamide

C21H19NOS — CID 618188

IUPAC2-tritylsulfanylacetamide
SMILESNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23)
InChIKeyMWGZSNLLUOVUNK-UHFFFAOYSA-N
MW333.46 g/mol
LogP4.20
Rot. Bonds6

About 2-tritylsulfanylacetamide

2-tritylsulfanylacetamide (PubChem CID 618188) has the molecular formula C21H19NOS and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-tritylsulfanylacetamide.

Molecular Properties

Compound Name2-tritylsulfanylacetamide
PubChem CID618188
Molecular FormulaC21H19NOS
Molecular Weight333.46 g/mol
Exact Mass333.12
IUPAC Name2-tritylsulfanylacetamide
SMILESNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19NOS/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23)
InChIKeyMWGZSNLLUOVUNK-UHFFFAOYSA-N
XLogP4.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-tritylsulfanylacetamide?
The IUPAC name of 2-tritylsulfanylacetamide (CID 618188) is 2-tritylsulfanylacetamide.
What is the SMILES notation for 2-tritylsulfanylacetamide?
The canonical SMILES for 2-tritylsulfanylacetamide is NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-tritylsulfanylacetamide?
The InChIKey is MWGZSNLLUOVUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS/c22-20(23)16-24-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H2,22,23).
What are the key properties of 2-tritylsulfanylacetamide?
2-tritylsulfanylacetamide has a molecular weight of 333.46 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tritylsulfanylacetamide is sourced from PubChem (CID 618188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).