3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide

C23H24N2OS — CID 71717524

IUPAC3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H24N2OS/c1-17-10-12-20(13-11-17)23(27-15-14-24,19-7-3-2-4-8-19)21-9-5-6-18(16-21)22(25)26/h2-13,16H,14-15,24H2,1H3,(H2,25,26)
InChIKeyLGPILDOYGVIDKB-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.08
Rot. Bonds7

About 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide

3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide (PubChem CID 71717524) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide.

Molecular Properties

Compound Name3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide
PubChem CID71717524
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide
SMILESCc1ccc(C(SCCN)(c2ccccc2)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H24N2OS/c1-17-10-12-20(13-11-17)23(27-15-14-24,19-7-3-2-4-8-19)21-9-5-6-18(16-21)22(25)26/h2-13,16H,14-15,24H2,1H3,(H2,25,26)
InChIKeyLGPILDOYGVIDKB-UHFFFAOYSA-N
XLogP4.08
TPSA69.11 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 ≤ 54.08
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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Related Compounds

4'-((1R)-1-amino-2-(2,5-difluorophenyl)ethyl)biphenyl-3-carboxamide
CID 24832041
1-(3-{[(2-Aminoethyl)sulfanyl](Diphenyl)methyl}phenyl)ethanone
CID 57326580
N-hexylsulfonyl-4-[(4-phenylphenyl)methylsulfanylmethyl]benzamide
CID 76955652
4-methyl-N-{2-[(4-methylbenzyl)thio]ethyl}benzamide
CID 2200390
[(1R)-1-[4-(3-carbamoylphenyl)phenyl]-2-(2,5-difluorophenyl)ethyl]azanium
CID 44629698
1-[4-[2-Aminoethylsulfanyl(diphenyl)methyl]phenyl]ethanone
CID 57326676
(2R)-2-amino-3-[(3-carbamoylphenyl)-diphenylmethyl]sulfanylpropanoic acid
CID 57326784
3-[2-Aminoethylsulfanyl(diphenyl)methyl]benzamide
CID 57326878
3-[2-aminoethylsulfanyl(diphenyl)methyl]-N-methylbenzamide
CID 57326879
N-{2-[(4-methylbenzyl)thio]ethyl}benzamide
CID 2289178
4-[(benzylthio)methyl]-N-(2-methylbenzyl)benzamide
CID 1288714
3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide
CID 57326880

Frequently Asked Questions

What is the IUPAC name of 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide?
The IUPAC name of 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide (CID 71717524) is 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide.
What is the SMILES notation for 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide?
The canonical SMILES for 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide is Cc1ccc(C(SCCN)(c2ccccc2)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide?
The InChIKey is LGPILDOYGVIDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-17-10-12-20(13-11-17)23(27-15-14-24,19-7-3-2-4-8-19)21-9-5-6-18(16-21)22(25)26/h2-13,16H,14-15,24H2,1H3,(H2,25,26).
What are the key properties of 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide?
3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide has a molecular weight of 376.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethylsulfanyl-(4-methylphenyl)-phenylmethyl]benzamide is sourced from PubChem (CID 71717524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).