N-benzyl-2-phenylsulfanylacetamide

C15H15NOS — CID 846429

IUPACN-benzyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(12-18-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyILXYTNOIJYJRNH-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.10
Rot. Bonds5

About N-benzyl-2-phenylsulfanylacetamide

N-benzyl-2-phenylsulfanylacetamide (PubChem CID 846429) has the molecular formula C15H15NOS and a molecular weight of 257.36 g/mol. Its IUPAC name is N-benzyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-phenylsulfanylacetamide
PubChem CID846429
Molecular FormulaC15H15NOS
Molecular Weight257.36 g/mol
Exact Mass257.09
IUPAC NameN-benzyl-2-phenylsulfanylacetamide
SMILESO=C(CSc1ccccc1)NCc1ccccc1
InChIInChI=1S/C15H15NOS/c17-15(12-18-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17)
InChIKeyILXYTNOIJYJRNH-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenylsulfanylacetamide?
The IUPAC name of N-benzyl-2-phenylsulfanylacetamide (CID 846429) is N-benzyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-benzyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-benzyl-2-phenylsulfanylacetamide is O=C(CSc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-phenylsulfanylacetamide?
The InChIKey is ILXYTNOIJYJRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NOS/c17-15(12-18-14-9-5-2-6-10-14)16-11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,16,17).
What are the key properties of N-benzyl-2-phenylsulfanylacetamide?
N-benzyl-2-phenylsulfanylacetamide has a molecular weight of 257.36 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 846429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).