N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide

C24H26N2OS — CID 57326782

IUPACN-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-19(27)26-18-20-9-8-14-23(17-20)24(28-16-15-25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17H,15-16,18,25H2,1H3,(H,26,27)
InChIKeyKQXAFPLLZDPRMT-UHFFFAOYSA-N
MW390.55 g/mol
LogP4.31
Rot. Bonds8

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

N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide (PubChem CID 57326782) has the molecular formula C24H26N2OS and a molecular weight of 390.55 g/mol. Its IUPAC name is N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide
PubChem CID57326782
Molecular FormulaC24H26N2OS
Molecular Weight390.55 g/mol
Exact Mass390.18
IUPAC NameN-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2OS/c1-19(27)26-18-20-9-8-14-23(17-20)24(28-16-15-25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17H,15-16,18,25H2,1H3,(H,26,27)
InChIKeyKQXAFPLLZDPRMT-UHFFFAOYSA-N
XLogP4.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 54.31
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 N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide (CID 57326782) is N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide?
The InChIKey is KQXAFPLLZDPRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2OS/c1-19(27)26-18-20-9-8-14-23(17-20)24(28-16-15-25,21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-14,17H,15-16,18,25H2,1H3,(H,26,27).
What are the key properties of N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide?
N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide has a molecular weight of 390.55 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-aminoethylsulfanyl(diphenyl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 57326782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).