N-diethoxyphosphinothioylbenzamide

C11H16NO3PS — CID 131847254

IUPACN-diethoxyphosphinothioylbenzamide
SMILESCCOP(=S)(NC(=O)c1ccccc1)OCC
InChIInChI=1S/C11H16NO3PS/c1-3-14-16(17,15-4-2)12-11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyAVCSDEKHUULEOV-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.71
Rot. Bonds6

About N-diethoxyphosphinothioylbenzamide

N-diethoxyphosphinothioylbenzamide (PubChem CID 131847254) has the molecular formula C11H16NO3PS and a molecular weight of 273.29 g/mol. Its IUPAC name is N-diethoxyphosphinothioylbenzamide.

Molecular Properties

Compound NameN-diethoxyphosphinothioylbenzamide
PubChem CID131847254
Molecular FormulaC11H16NO3PS
Molecular Weight273.29 g/mol
Exact Mass273.06
IUPAC NameN-diethoxyphosphinothioylbenzamide
SMILESCCOP(=S)(NC(=O)c1ccccc1)OCC
InChIInChI=1S/C11H16NO3PS/c1-3-14-16(17,15-4-2)12-11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,13,17)
InChIKeyAVCSDEKHUULEOV-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-diethoxyphosphoryl-2-hydroxy-1-phenylethanone
CID 122232536
N-[(1S)-1-diethoxyphosphoryl-2-oxoethyl]benzamide
CID 40537671
N'-[diethoxyphosphoryl(phenyl)methyl]benzohydrazide
CID 14923152
(E)-4-diethoxyphosphoryl-3-phenylbut-2-enoic acid
CID 87453545
1-diethoxyphosphinothioyl-3-(C-methyl-N-phenylmethoxycarbonimidoyl)urea
CID 135448703
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-λ5-phosphane;2-hydroxy-1,2-diphenylethanone
CID 88633467
(E)-3-diethoxyphosphoryl-1-phenylprop-2-en-1-one
CID 11850559
ethyl (Z)-2-benzamido-4-[ethoxy(methyl)phosphoryl]but-2-enoate
CID 68912357
N-dichlorophosphorylbenzamide
CID 4737335
benzohydrazide;propane
CID 90709051
N-ethylbenzamide
CID 160772566
2-diethoxyphosphinothioylsulfanyl-1-phenylpropan-1-one
CID 14740095

Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphinothioylbenzamide?
The IUPAC name of N-diethoxyphosphinothioylbenzamide (CID 131847254) is N-diethoxyphosphinothioylbenzamide.
What is the SMILES notation for N-diethoxyphosphinothioylbenzamide?
The canonical SMILES for N-diethoxyphosphinothioylbenzamide is CCOP(=S)(NC(=O)c1ccccc1)OCC.
What is the InChIKey of N-diethoxyphosphinothioylbenzamide?
The InChIKey is AVCSDEKHUULEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16NO3PS/c1-3-14-16(17,15-4-2)12-11(13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,12,13,17).
What are the key properties of N-diethoxyphosphinothioylbenzamide?
N-diethoxyphosphinothioylbenzamide has a molecular weight of 273.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphinothioylbenzamide is sourced from PubChem (CID 131847254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).