[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten

C9H12N2O2SW — CID 166038845

IUPAC[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
SMILESCc1ccc(C(=O)NS(C)(=O)=[W])c(N)c1
InChIInChI=1S/C9H12N2O2S.W/c1-6-3-4-7(8(10)5-6)9(12)11-14(2)13;/h3-5H,10H2,1-2H3,(H,11,12);
InChIKeyDVXNPZVUTQXCES-UHFFFAOYSA-N
MW396.11 g/mol
LogP0.60
Rot. Bonds2

About [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten

[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten (PubChem CID 166038845) has the molecular formula C9H12N2O2SW and a molecular weight of 396.11 g/mol. Its IUPAC name is [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten.

Molecular Properties

Compound Name[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
PubChem CID166038845
Molecular FormulaC9H12N2O2SW
Molecular Weight396.11 g/mol
Exact Mass396.01
IUPAC Name[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten
SMILESCc1ccc(C(=O)NS(C)(=O)=[W])c(N)c1
InChIInChI=1S/C9H12N2O2S.W/c1-6-3-4-7(8(10)5-6)9(12)11-14(2)13;/h3-5H,10H2,1-2H3,(H,11,12);
InChIKeyDVXNPZVUTQXCES-UHFFFAOYSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.11
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-ethenyl-4-methylbenzamide
CID 143815920
2-amino-4-bromo-N-methylsulfonylbenzamide
CID 103287307
2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
2-amino-N-(3,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 104829925
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-N-(2,6-dimethylpiperidin-1-yl)-4-methylbenzamide
CID 83025059
(E)-2-amino-3-(2-amino-4-methylphenyl)-3-hydroxyprop-2-enoic acid
CID 142087140
8-[(2-amino-4-methylbenzoyl)amino]-5-hydroxynaphthalene-2-sulfonic acid
CID 57317566
6-[(2-amino-4-methylbenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
CID 57134662
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972

Frequently Asked Questions

What is the IUPAC name of [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten?
The IUPAC name of [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten (CID 166038845) is [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten.
What is the SMILES notation for [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten?
The canonical SMILES for [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten is Cc1ccc(C(=O)NS(C)(=O)=[W])c(N)c1.
What is the InChIKey of [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten?
The InChIKey is DVXNPZVUTQXCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.W/c1-6-3-4-7(8(10)5-6)9(12)11-14(2)13;/h3-5H,10H2,1-2H3,(H,11,12);.
What are the key properties of [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten?
[[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten has a molecular weight of 396.11 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2-amino-4-methylbenzoyl)amino]-methyl-oxo-λ6-sulfanylidene]tungsten is sourced from PubChem (CID 166038845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).