3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide

C24H26N2OS — CID 57326880

IUPAC3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-26(2)23(27)19-10-9-15-22(18-19)24(28-17-16-25,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,16-17,25H2,1-2H3
InChIKeyDBXKNLONIACQRU-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.37
Rot. Bonds7

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

3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide (PubChem CID 57326880) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide
PubChem CID57326880
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC Name3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-26(2)23(27)19-10-9-15-22(18-19)24(28-17-16-25,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,16-17,25H2,1-2H3
InChIKeyDBXKNLONIACQRU-UHFFFAOYSA-N
XLogP4.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
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,N-dimethylbenzamide?
The IUPAC name of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide (CID 57326880) is 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide?
The InChIKey is DBXKNLONIACQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-26(2)23(27)19-10-9-15-22(18-19)24(28-17-16-25,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-15,18H,16-17,25H2,1-2H3.
What are the key properties of 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide?
3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide has a molecular weight of 390.55 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-aminoethylsulfanyl(diphenyl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 57326880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).