N-(4-acetylphenyl)-2-sulfanylacetamide

C10H11NO2S — CID 83773639

IUPACN-(4-acetylphenyl)-2-sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CS)cc1
InChIInChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
InChIKeyWBJOQROPHCHERE-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.76
Rot. Bonds3

About N-(4-acetylphenyl)-2-sulfanylacetamide

N-(4-acetylphenyl)-2-sulfanylacetamide (PubChem CID 83773639) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-sulfanylacetamide
PubChem CID83773639
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC NameN-(4-acetylphenyl)-2-sulfanylacetamide
SMILESCC(=O)c1ccc(NC(=O)CS)cc1
InChIInChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13)
InChIKeyWBJOQROPHCHERE-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Tacedinaline
CID 2746
4'-Chloroacetyl(acetanilide)
CID 8805
4'-Methylbenzanilide
CID 68497
Cpi 1189
CID 151118
Acetanilide, 3'-acetyl-2,2,2-trifluoro-
CID 673706
N-(4-Acetylphenyl)-2,2,2-trifluoroacetamide
CID 32487
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
3-Oxo-3-phenylpropionanilide
CID 70398
N-(p-acetylphenyl)acetamide
CID 75937
4,4'-Diaminobenzanilide
CID 69917
4-Acetamidobenzaldehyde
CID 73942
N-(4-acetylphenyl)-2-(pyrrolidin-1-yl)acetamide
CID 930524

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-sulfanylacetamide (CID 83773639) is N-(4-acetylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-sulfanylacetamide is CC(=O)c1ccc(NC(=O)CS)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-sulfanylacetamide?
The InChIKey is WBJOQROPHCHERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7(12)8-2-4-9(5-3-8)11-10(13)6-14/h2-5,14H,6H2,1H3,(H,11,13).
What are the key properties of N-(4-acetylphenyl)-2-sulfanylacetamide?
N-(4-acetylphenyl)-2-sulfanylacetamide has a molecular weight of 209.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 83773639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).