N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide

C13H21NOS2Si — CID 54179584

IUPACN-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide
SMILESCc1ccc(NC(=O)CS(=S)C[Si](C)(C)C)cc1
InChIInChI=1S/C13H21NOS2Si/c1-11-5-7-12(8-6-11)14-13(15)9-17(16)10-18(2,3)4/h5-8H,9-10H2,1-4H3,(H,14,15)
InChIKeyPAWDXKRLNMZFLP-UHFFFAOYSA-N
MW299.54 g/mol
LogP2.89
Rot. Bonds5

About N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide

N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide (PubChem CID 54179584) has the molecular formula C13H21NOS2Si and a molecular weight of 299.54 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide
PubChem CID54179584
Molecular FormulaC13H21NOS2Si
Molecular Weight299.54 g/mol
Exact Mass299.08
IUPAC NameN-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide
SMILESCc1ccc(NC(=O)CS(=S)C[Si](C)(C)C)cc1
InChIInChI=1S/C13H21NOS2Si/c1-11-5-7-12(8-6-11)14-13(15)9-17(16)10-18(2,3)4/h5-8H,9-10H2,1-4H3,(H,14,15)
InChIKeyPAWDXKRLNMZFLP-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.54
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-2-hydroxyethylsulfinyl]-N-(4-methylphenyl)acetamide
CID 97340010
2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfinyl]-N-(4-methylphenyl)acetamide
CID 56726239
2-[2-(4-methylanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 54883354
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
2-(4-methyl-N-[2-(4-methylanilino)-2-oxoethyl]anilino)-N-(4-methylphenyl)acetamide
CID 2645683
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
CID 6095733
N'-[4-(dimethylamino)phenyl]-N-(4-methylphenyl)propanediamide
CID 108953119
1-(4-methylphenyl)-3-(trimethylsilylmethyl)urea
CID 15490432
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[(R)-benzylsulfinyl]-N-(4-methylphenyl)acetamide
CID 95169335
N-(4-methylphenyl)-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfinylacetamide
CID 3529063
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide (CID 54179584) is N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide is Cc1ccc(NC(=O)CS(=S)C[Si](C)(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide?
The InChIKey is PAWDXKRLNMZFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS2Si/c1-11-5-7-12(8-6-11)14-13(15)9-17(16)10-18(2,3)4/h5-8H,9-10H2,1-4H3,(H,14,15).
What are the key properties of N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide?
N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide has a molecular weight of 299.54 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(trimethylsilylmethylsulfinothioyl)acetamide is sourced from PubChem (CID 54179584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).