[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite

C9H10INO2S — CID 122522384

IUPAC[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
SMILESCNC(=O)c1ccc(SI)c(OC)c1
InChIInChI=1S/C9H10INO2S/c1-11-9(12)6-3-4-8(14-10)7(5-6)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyQOMMQFUZSQMKQP-UHFFFAOYSA-N
MW323.16 g/mol
LogP2.50
Rot. Bonds3

About [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite

[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite (PubChem CID 122522384) has the molecular formula C9H10INO2S and a molecular weight of 323.16 g/mol. Its IUPAC name is [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite.

Molecular Properties

Compound Name[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
PubChem CID122522384
Molecular FormulaC9H10INO2S
Molecular Weight323.16 g/mol
Exact Mass322.95
IUPAC Name[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite
SMILESCNC(=O)c1ccc(SI)c(OC)c1
InChIInChI=1S/C9H10INO2S/c1-11-9(12)6-3-4-8(14-10)7(5-6)13-2/h3-5H,1-2H3,(H,11,12)
InChIKeyQOMMQFUZSQMKQP-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
4-(but-2-ynylamino)-3-methoxy-N-methylbenzamide
CID 165372858
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxy-N-methylbenzamide
CID 39741115
3-[2-(dimethylamino)phenyl]-4-methoxy-N-methylbenzamide
CID 119069642
3,4-dimethoxy-N-sulfanylbenzamide
CID 71771275
3-bromo-4-(2-methoxyethoxy)-N-methylbenzamide
CID 15943150
3-ethoxy-N,4-dimethylbenzamide
CID 59678322

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite?
The IUPAC name of [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite (CID 122522384) is [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite.
What is the SMILES notation for [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite?
The canonical SMILES for [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite is CNC(=O)c1ccc(SI)c(OC)c1.
What is the InChIKey of [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite?
The InChIKey is QOMMQFUZSQMKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO2S/c1-11-9(12)6-3-4-8(14-10)7(5-6)13-2/h3-5H,1-2H3,(H,11,12).
What are the key properties of [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite?
[2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite has a molecular weight of 323.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-(methylcarbamoyl)phenyl] thiohypoiodite is sourced from PubChem (CID 122522384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).