2-diphenylphosphinothioyl-N,N-diethylacetamide

C18H22NOPS — CID 796778

IUPAC2-diphenylphosphinothioyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOPS/c1-3-19(4-2)18(20)15-21(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyZSEKMLMMPIPAFQ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.99
Rot. Bonds6

About 2-diphenylphosphinothioyl-N,N-diethylacetamide

2-diphenylphosphinothioyl-N,N-diethylacetamide (PubChem CID 796778) has the molecular formula C18H22NOPS and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-diphenylphosphinothioyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-diphenylphosphinothioyl-N,N-diethylacetamide
PubChem CID796778
Molecular FormulaC18H22NOPS
Molecular Weight331.42 g/mol
Exact Mass331.12
IUPAC Name2-diphenylphosphinothioyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NOPS/c1-3-19(4-2)18(20)15-21(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyZSEKMLMMPIPAFQ-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphinothioyl-N,N-diethylacetamide 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-diphenylphosphinothioyl-N,N-diethylacetamide?
The IUPAC name of 2-diphenylphosphinothioyl-N,N-diethylacetamide (CID 796778) is 2-diphenylphosphinothioyl-N,N-diethylacetamide.
What is the SMILES notation for 2-diphenylphosphinothioyl-N,N-diethylacetamide?
The canonical SMILES for 2-diphenylphosphinothioyl-N,N-diethylacetamide is CCN(CC)C(=O)CP(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphinothioyl-N,N-diethylacetamide?
The InChIKey is ZSEKMLMMPIPAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NOPS/c1-3-19(4-2)18(20)15-21(22,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 2-diphenylphosphinothioyl-N,N-diethylacetamide?
2-diphenylphosphinothioyl-N,N-diethylacetamide has a molecular weight of 331.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphinothioyl-N,N-diethylacetamide is sourced from PubChem (CID 796778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).