2-diphenylphosphinothioyl-N,N-diethylpropanamide

C19H24NOPS — CID 2828065

IUPAC2-diphenylphosphinothioyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOPS/c1-4-20(5-2)19(21)16(3)22(23,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyPJIZCRLQODVUBO-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.37
Rot. Bonds6

About 2-diphenylphosphinothioyl-N,N-diethylpropanamide

2-diphenylphosphinothioyl-N,N-diethylpropanamide (PubChem CID 2828065) has the molecular formula C19H24NOPS and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-diphenylphosphinothioyl-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-diphenylphosphinothioyl-N,N-diethylpropanamide
PubChem CID2828065
Molecular FormulaC19H24NOPS
Molecular Weight345.45 g/mol
Exact Mass345.13
IUPAC Name2-diphenylphosphinothioyl-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)P(=S)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H24NOPS/c1-4-20(5-2)19(21)16(3)22(23,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3
InChIKeyPJIZCRLQODVUBO-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
CID 14897370
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
4-diphenylphosphinothioylpentan-2-one
CID 134862641
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
3-amino-N-ethyl-N-(2-methylpropyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877901
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
N,N-diethyl-2-(2-methylpropylsulfanyl)-2-phenylacetamide
CID 112795259
N-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-2-methylpropanamide
CID 110287067
N-benzyl-2-bromo-N-ethylpropanamide
CID 82108939
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
2-(benzylamino)-N,N-diethylpropanamide
CID 43112479

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphinothioyl-N,N-diethylpropanamide?
The IUPAC name of 2-diphenylphosphinothioyl-N,N-diethylpropanamide (CID 2828065) is 2-diphenylphosphinothioyl-N,N-diethylpropanamide.
What is the SMILES notation for 2-diphenylphosphinothioyl-N,N-diethylpropanamide?
The canonical SMILES for 2-diphenylphosphinothioyl-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)P(=S)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphinothioyl-N,N-diethylpropanamide?
The InChIKey is PJIZCRLQODVUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24NOPS/c1-4-20(5-2)19(21)16(3)22(23,17-12-8-6-9-13-17)18-14-10-7-11-15-18/h6-16H,4-5H2,1-3H3.
What are the key properties of 2-diphenylphosphinothioyl-N,N-diethylpropanamide?
2-diphenylphosphinothioyl-N,N-diethylpropanamide has a molecular weight of 345.45 g/mol, XLogP of 3.37, 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-diethylpropanamide is sourced from PubChem (CID 2828065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).