N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide

C17H19NOS2 — CID 2283311

IUPACN-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCSCc1ccccc1
InChIInChI=1S/C17H19NOS2/c19-17(14-21-16-9-5-2-6-10-16)18-11-12-20-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19)
InChIKeyPSYCWFYYOZGCGU-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.83
Rot. Bonds8

About N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide

N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide (PubChem CID 2283311) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide
PubChem CID2283311
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC NameN-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCCSCc1ccccc1
InChIInChI=1S/C17H19NOS2/c19-17(14-21-16-9-5-2-6-10-16)18-11-12-20-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19)
InChIKeyPSYCWFYYOZGCGU-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide (CID 2283311) is N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide?
The InChIKey is PSYCWFYYOZGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c19-17(14-21-16-9-5-2-6-10-16)18-11-12-20-13-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,18,19).
What are the key properties of N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide?
N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide has a molecular weight of 317.48 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 2283311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).