N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide

C11H14AsNO3S2 — CID 8414

IUPACN-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc([As]2SCC(CO)S2)ccc1O
InChIInChI=1S/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)
InChIKeyMRUDSZSRLQAPOG-UHFFFAOYSA-N
MW347.29 g/mol
LogP0.89
Rot. Bonds3

About N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide

N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide (PubChem CID 8414) has the molecular formula C11H14AsNO3S2 and a molecular weight of 347.29 g/mol. Its IUPAC name is N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
PubChem CID8414
Molecular FormulaC11H14AsNO3S2
Molecular Weight347.29 g/mol
Exact Mass346.96
IUPAC NameN-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cc([As]2SCC(CO)S2)ccc1O
InChIInChI=1S/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15)
InChIKeyMRUDSZSRLQAPOG-UHFFFAOYSA-N
XLogP0.89
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Acetarsol
CID 1985
2-Acetamidophenol
CID 11972
Acetarsol sodium
CID 23668632
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(2-hydroxyphenyl)acetamide
CID 2905088
N-(2-hydroxyphenyl)-3-sulfanylpropanamide
CID 83773763
Potassium 2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanylacetate
CID 137644541
[6-(hydroxymethyl)dithiin-3-yl]methyl N-(2-hydroxyphenyl)carbamate
CID 462650
N-(2-hydroxyphenyl)propanamide
CID 243658
Acetarsone diethylamine salt
CID 10799
Butyranilide, 2'-hydroxy-
CID 96697
N-(2-hydroxyphenyl)-2-methylpropanamide
CID 836041
2-Amino-4-(1,3,2-dithiarsolan-2-yl)phenol
CID 171349316

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide (CID 8414) is N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide is CC(=O)Nc1cc([As]2SCC(CO)S2)ccc1O.
What is the InChIKey of N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide?
The InChIKey is MRUDSZSRLQAPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14AsNO3S2/c1-7(15)13-10-4-8(2-3-11(10)16)12-17-6-9(5-14)18-12/h2-4,9,14,16H,5-6H2,1H3,(H,13,15).
What are the key properties of N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide?
N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide has a molecular weight of 347.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-5-[4-(hydroxymethyl)-1,3,2-dithiarsolan-2-yl]phenyl]acetamide is sourced from PubChem (CID 8414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).