3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide

C23H24N2OS — CID 57326879

IUPAC3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2OS/c1-25-22(26)18-9-8-14-21(17-18)23(27-16-15-24,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,24H2,1H3,(H,25,26)
InChIKeyWRQUIXFAFPZCFQ-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.03
Rot. Bonds7

About 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide

3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide (PubChem CID 57326879) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide
PubChem CID57326879
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C23H24N2OS/c1-25-22(26)18-9-8-14-21(17-18)23(27-16-15-24,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,24H2,1H3,(H,25,26)
InChIKeyWRQUIXFAFPZCFQ-UHFFFAOYSA-N
XLogP4.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.03
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]-N-methylbenzamide?
The IUPAC name of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide (CID 57326879) is 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide is CNC(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide?
The InChIKey is WRQUIXFAFPZCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-25-22(26)18-9-8-14-21(17-18)23(27-16-15-24,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17H,15-16,24H2,1H3,(H,25,26).
What are the key properties of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide?
3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide has a molecular weight of 376.53 g/mol, XLogP of 4.03, 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]-N-methylbenzamide is sourced from PubChem (CID 57326879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).