2-amino-4-tritylsulfanylbutanamide

C23H24N2OS — CID 67617637

IUPAC2-amino-4-tritylsulfanylbutanamide
SMILESNC(=O)C(N)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2OS/c24-21(22(25)26)16-17-27-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H2,25,26)
InChIKeyZVHLPKUDTFSCAO-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.91
Rot. Bonds8

About 2-amino-4-tritylsulfanylbutanamide

2-amino-4-tritylsulfanylbutanamide (PubChem CID 67617637) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-amino-4-tritylsulfanylbutanamide.

Molecular Properties

Compound Name2-amino-4-tritylsulfanylbutanamide
PubChem CID67617637
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name2-amino-4-tritylsulfanylbutanamide
SMILESNC(=O)C(N)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H24N2OS/c24-21(22(25)26)16-17-27-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H2,25,26)
InChIKeyZVHLPKUDTFSCAO-UHFFFAOYSA-N
XLogP3.91
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-4-tritylsulfanylbutanamide?
The IUPAC name of 2-amino-4-tritylsulfanylbutanamide (CID 67617637) is 2-amino-4-tritylsulfanylbutanamide.
What is the SMILES notation for 2-amino-4-tritylsulfanylbutanamide?
The canonical SMILES for 2-amino-4-tritylsulfanylbutanamide is NC(=O)C(N)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-4-tritylsulfanylbutanamide?
The InChIKey is ZVHLPKUDTFSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c24-21(22(25)26)16-17-27-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15,21H,16-17,24H2,(H2,25,26).
What are the key properties of 2-amino-4-tritylsulfanylbutanamide?
2-amino-4-tritylsulfanylbutanamide has a molecular weight of 376.53 g/mol, XLogP of 3.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-tritylsulfanylbutanamide is sourced from PubChem (CID 67617637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).