2-diphenylphosphinothioylacetamide

C14H14NOPS — CID 796912

IUPAC2-diphenylphosphinothioylacetamide
SMILESNC(=O)CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NOPS/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16)
InChIKeyZYNPHEVXKGINBT-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.60
Rot. Bonds4

About 2-diphenylphosphinothioylacetamide

2-diphenylphosphinothioylacetamide (PubChem CID 796912) has the molecular formula C14H14NOPS and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-diphenylphosphinothioylacetamide.

Molecular Properties

Compound Name2-diphenylphosphinothioylacetamide
PubChem CID796912
Molecular FormulaC14H14NOPS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name2-diphenylphosphinothioylacetamide
SMILESNC(=O)CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H14NOPS/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16)
InChIKeyZYNPHEVXKGINBT-UHFFFAOYSA-N
XLogP1.60
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphinothioylacetamide 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 2-diphenylphosphinothioylacetamide?
The IUPAC name of 2-diphenylphosphinothioylacetamide (CID 796912) is 2-diphenylphosphinothioylacetamide.
What is the SMILES notation for 2-diphenylphosphinothioylacetamide?
The canonical SMILES for 2-diphenylphosphinothioylacetamide is NC(=O)CP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphinothioylacetamide?
The InChIKey is ZYNPHEVXKGINBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14NOPS/c15-14(16)11-17(18,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H2,15,16).
What are the key properties of 2-diphenylphosphinothioylacetamide?
2-diphenylphosphinothioylacetamide has a molecular weight of 275.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphinothioylacetamide is sourced from PubChem (CID 796912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).