2-phenyl-N-(2-phenylethyl)ethanethioamide

C16H17NS — CID 3381593

IUPAC2-phenyl-N-(2-phenylethyl)ethanethioamide
SMILESS=C(Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C16H17NS/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyZPUHZUXEYRRGIF-UHFFFAOYSA-N
MW255.39 g/mol
LogP3.39
Rot. Bonds5

About 2-phenyl-N-(2-phenylethyl)ethanethioamide

2-phenyl-N-(2-phenylethyl)ethanethioamide (PubChem CID 3381593) has the molecular formula C16H17NS and a molecular weight of 255.39 g/mol. Its IUPAC name is 2-phenyl-N-(2-phenylethyl)ethanethioamide.

Molecular Properties

Compound Name2-phenyl-N-(2-phenylethyl)ethanethioamide
PubChem CID3381593
Molecular FormulaC16H17NS
Molecular Weight255.39 g/mol
Exact Mass255.11
IUPAC Name2-phenyl-N-(2-phenylethyl)ethanethioamide
SMILESS=C(Cc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C16H17NS/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
InChIKeyZPUHZUXEYRRGIF-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2-phenylethyl)ethanethioamide?
The IUPAC name of 2-phenyl-N-(2-phenylethyl)ethanethioamide (CID 3381593) is 2-phenyl-N-(2-phenylethyl)ethanethioamide.
What is the SMILES notation for 2-phenyl-N-(2-phenylethyl)ethanethioamide?
The canonical SMILES for 2-phenyl-N-(2-phenylethyl)ethanethioamide is S=C(Cc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-phenyl-N-(2-phenylethyl)ethanethioamide?
The InChIKey is ZPUHZUXEYRRGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18).
What are the key properties of 2-phenyl-N-(2-phenylethyl)ethanethioamide?
2-phenyl-N-(2-phenylethyl)ethanethioamide has a molecular weight of 255.39 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2-phenylethyl)ethanethioamide is sourced from PubChem (CID 3381593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).