N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide

C10H13NO3S — CID 2971820

IUPACN-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
SMILESCOc1cc(NC(=O)CS)cc(OC)c1
InChIInChI=1S/C10H13NO3S/c1-13-8-3-7(11-10(12)6-15)4-9(5-8)14-2/h3-5,15H,6H2,1-2H3,(H,11,12)
InChIKeyJPBVBXYAXLUKKO-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.57
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide

N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide (PubChem CID 2971820) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
PubChem CID2971820
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC NameN-(3,5-dimethoxyphenyl)-2-sulfanylacetamide
SMILESCOc1cc(NC(=O)CS)cc(OC)c1
InChIInChI=1S/C10H13NO3S/c1-13-8-3-7(11-10(12)6-15)4-9(5-8)14-2/h3-5,15H,6H2,1-2H3,(H,11,12)
InChIKeyJPBVBXYAXLUKKO-UHFFFAOYSA-N
XLogP1.57
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
2-(tert-butylamino)-N-(3,5-dimethoxyphenyl)acetamide
CID 27150052
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
CID 3759124
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 23996290
N-(3,5-dimethoxyphenyl)-2-piperidin-4-ylacetamide
CID 24703765
2-anilino-N-(3,5-dimethoxyphenyl)acetamide
CID 51178238
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119820030
2-(2-aminoethoxy)-N-(3,5-dimethoxyphenyl)acetamide
CID 79464071
N-(3,5-dimethoxyphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 4803684
N-(3,5-dimethoxyphenyl)-3-(4-methylphenyl)sulfanylpropanamide
CID 23973490
4-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]-methylamino]butanoic acid
CID 119994299

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide (CID 2971820) is N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide is COc1cc(NC(=O)CS)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide?
The InChIKey is JPBVBXYAXLUKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-13-8-3-7(11-10(12)6-15)4-9(5-8)14-2/h3-5,15H,6H2,1-2H3,(H,11,12).
What are the key properties of N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide?
N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide has a molecular weight of 227.28 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 2971820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).