2-sulfanyl-4-tritylbenzamide

C26H21NOS — CID 67328348

IUPAC2-sulfanyl-4-tritylbenzamide
SMILESNC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1S
InChIInChI=1S/C26H21NOS/c27-25(28)23-17-16-22(18-24(23)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18,29H,(H2,27,28)
InChIKeyADLVJTIACQHZGN-UHFFFAOYSA-N
MW395.53 g/mol
LogP5.46
Rot. Bonds5

About 2-sulfanyl-4-tritylbenzamide

2-sulfanyl-4-tritylbenzamide (PubChem CID 67328348) has the molecular formula C26H21NOS and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-sulfanyl-4-tritylbenzamide.

Molecular Properties

Compound Name2-sulfanyl-4-tritylbenzamide
PubChem CID67328348
Molecular FormulaC26H21NOS
Molecular Weight395.53 g/mol
Exact Mass395.13
IUPAC Name2-sulfanyl-4-tritylbenzamide
SMILESNC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1S
InChIInChI=1S/C26H21NOS/c27-25(28)23-17-16-22(18-24(23)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18,29H,(H2,27,28)
InChIKeyADLVJTIACQHZGN-UHFFFAOYSA-N
XLogP5.46
TPSA43.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.53
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', '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-sulfanyl-4-tritylbenzamide?
The IUPAC name of 2-sulfanyl-4-tritylbenzamide (CID 67328348) is 2-sulfanyl-4-tritylbenzamide.
What is the SMILES notation for 2-sulfanyl-4-tritylbenzamide?
The canonical SMILES for 2-sulfanyl-4-tritylbenzamide is NC(=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1S.
What is the InChIKey of 2-sulfanyl-4-tritylbenzamide?
The InChIKey is ADLVJTIACQHZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NOS/c27-25(28)23-17-16-22(18-24(23)29)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18,29H,(H2,27,28).
What are the key properties of 2-sulfanyl-4-tritylbenzamide?
2-sulfanyl-4-tritylbenzamide has a molecular weight of 395.53 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-4-tritylbenzamide is sourced from PubChem (CID 67328348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).