3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide

C22H22N2OS — CID 57326878

IUPAC3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(N)=O)c1
InChIInChI=1S/C22H22N2OS/c23-14-15-26-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-13-7-8-17(16-20)21(24)25/h1-13,16H,14-15,23H2,(H2,24,25)
InChIKeyZEAMYFNKGIBVEF-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.77
Rot. Bonds7

About 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide

3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide (PubChem CID 57326878) has the molecular formula C22H22N2OS and a molecular weight of 362.50 g/mol. Its IUPAC name is 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide
PubChem CID57326878
Molecular FormulaC22H22N2OS
Molecular Weight362.50 g/mol
Exact Mass362.15
IUPAC Name3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide
SMILESNCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(N)=O)c1
InChIInChI=1S/C22H22N2OS/c23-14-15-26-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-13-7-8-17(16-20)21(24)25/h1-13,16H,14-15,23H2,(H2,24,25)
InChIKeyZEAMYFNKGIBVEF-UHFFFAOYSA-N
XLogP3.77
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.77
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 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide?
The IUPAC name of 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide (CID 57326878) is 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide.
What is the SMILES notation for 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide?
The canonical SMILES for 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide is NCCSC(c1ccccc1)(c1ccccc1)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide?
The InChIKey is ZEAMYFNKGIBVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2OS/c23-14-15-26-22(18-9-3-1-4-10-18,19-11-5-2-6-12-19)20-13-7-8-17(16-20)21(24)25/h1-13,16H,14-15,23H2,(H2,24,25).
What are the key properties of 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide?
3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide has a molecular weight of 362.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethylsulfanyl(diphenyl)methyl]benzamide is sourced from PubChem (CID 57326878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).