N-(2-benzylsulfanylethyl)-2-phenylacetamide

C17H19NOS — CID 2284157

IUPACN-(2-benzylsulfanylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(13-15-7-3-1-4-8-15)18-11-12-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyGNZFKPRTACAROG-UHFFFAOYSA-N
MW285.41 g/mol
LogP3.28
Rot. Bonds7

About N-(2-benzylsulfanylethyl)-2-phenylacetamide

N-(2-benzylsulfanylethyl)-2-phenylacetamide (PubChem CID 2284157) has the molecular formula C17H19NOS and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-benzylsulfanylethyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2-benzylsulfanylethyl)-2-phenylacetamide
PubChem CID2284157
Molecular FormulaC17H19NOS
Molecular Weight285.41 g/mol
Exact Mass285.12
IUPAC NameN-(2-benzylsulfanylethyl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCSCc1ccccc1
InChIInChI=1S/C17H19NOS/c19-17(13-15-7-3-1-4-8-15)18-11-12-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19)
InChIKeyGNZFKPRTACAROG-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfanylethyl)-2-phenylacetamide?
The IUPAC name of N-(2-benzylsulfanylethyl)-2-phenylacetamide (CID 2284157) is N-(2-benzylsulfanylethyl)-2-phenylacetamide.
What is the SMILES notation for N-(2-benzylsulfanylethyl)-2-phenylacetamide?
The canonical SMILES for N-(2-benzylsulfanylethyl)-2-phenylacetamide is O=C(Cc1ccccc1)NCCSCc1ccccc1.
What is the InChIKey of N-(2-benzylsulfanylethyl)-2-phenylacetamide?
The InChIKey is GNZFKPRTACAROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS/c19-17(13-15-7-3-1-4-8-15)18-11-12-20-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,18,19).
What are the key properties of N-(2-benzylsulfanylethyl)-2-phenylacetamide?
N-(2-benzylsulfanylethyl)-2-phenylacetamide has a molecular weight of 285.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfanylethyl)-2-phenylacetamide is sourced from PubChem (CID 2284157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).