N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide

C8H10NO4PS — CID 88758142

IUPACN-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(OP(O)(O)=S)cc1
InChIInChI=1S/C8H10NO4PS/c1-6(10)9-7-2-4-8(5-3-7)13-14(11,12)15/h2-5H,1H3,(H,9,10)(H2,11,12,15)
InChIKeyPQEAPGOTSPVTHT-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.23
Rot. Bonds3

About N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide

N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide (PubChem CID 88758142) has the molecular formula C8H10NO4PS and a molecular weight of 247.21 g/mol. Its IUPAC name is N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
PubChem CID88758142
Molecular FormulaC8H10NO4PS
Molecular Weight247.21 g/mol
Exact Mass247.01
IUPAC NameN-(4-dihydroxyphosphinothioyloxyphenyl)acetamide
SMILESCC(=O)Nc1ccc(OP(O)(O)=S)cc1
InChIInChI=1S/C8H10NO4PS/c1-6(10)9-7-2-4-8(5-3-7)13-14(11,12)15/h2-5H,1H3,(H,9,10)(H2,11,12,15)
InChIKeyPQEAPGOTSPVTHT-UHFFFAOYSA-N
XLogP1.23
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(4-acetamidophenyl) propanedioate
CID 58435595
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
N-[4-(3-chloropropoxy)phenyl]acetamide
CID 5147668
(4-acetamidophenyl) N-phenylcarbamate
CID 58706000
(4-acetamidophenyl) N-(2-chloroethyl)carbamate
CID 18922279
(4-methoxycarbonylphenyl) 4-acetamidobenzoate
CID 7761360
(4-acetamidophenoxy) dimethyl phosphate
CID 150162176
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-(3-deuterio-4-methoxyphenyl)acetamide
CID 165008373
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-(4-methylphenyl)acetamide
CID 7684
(4-acetamidophenyl) (2S)-2-amino-3-methylbutanoate;hydrochloride
CID 56673393

Frequently Asked Questions

What is the IUPAC name of N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide?
The IUPAC name of N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide (CID 88758142) is N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide.
What is the SMILES notation for N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide?
The canonical SMILES for N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide is CC(=O)Nc1ccc(OP(O)(O)=S)cc1.
What is the InChIKey of N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide?
The InChIKey is PQEAPGOTSPVTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO4PS/c1-6(10)9-7-2-4-8(5-3-7)13-14(11,12)15/h2-5H,1H3,(H,9,10)(H2,11,12,15).
What are the key properties of N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide?
N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide has a molecular weight of 247.21 g/mol, XLogP of 1.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dihydroxyphosphinothioyloxyphenyl)acetamide is sourced from PubChem (CID 88758142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).