N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide

C11H15NO3S — CID 115166939

IUPACN-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)c(OC)c1C
InChIInChI=1S/C11H15NO3S/c1-7-9(14-2)5-4-8(11(7)15-3)12-10(13)6-16/h4-5,16H,6H2,1-3H3,(H,12,13)
InChIKeyNYXOBOHSCBHPMG-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.88
Rot. Bonds4

About N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide

N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide (PubChem CID 115166939) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
PubChem CID115166939
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide
SMILESCOc1ccc(NC(=O)CS)c(OC)c1C
InChIInChI=1S/C11H15NO3S/c1-7-9(14-2)5-4-8(11(7)15-3)12-10(13)6-16/h4-5,16H,6H2,1-3H3,(H,12,13)
InChIKeyNYXOBOHSCBHPMG-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.88
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-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384
N-(2,4-dimethoxy-3-methylphenyl)-2-(2-fluorophenyl)acetamide
CID 110777877
N-(2,4-dimethoxy-3-methylphenyl)-2-oxoacetamide
CID 115165932
N-(2,4-dimethoxy-3-methylphenyl)azetidine-3-carboxamide
CID 115158658
1-(2,4-dimethoxy-3-methylphenyl)-3-phenylurea
CID 110774594
N-(2,4-dimethoxy-3-methylphenyl)cyclopentanecarboxamide
CID 110777847
N-(4-methoxy-2,3-dimethylphenyl)-2-methylpropanamide
CID 110777719
2-(2,4-dimethoxy-3-methylanilino)-2-methylpropanoic acid
CID 115127771
4-(2,4-dimethoxy-3-methylanilino)butanoic acid
CID 115218452
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
4-(2,4-dimethoxy-3-methylanilino)-2-methylbutanoic acid
CID 115220535

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide (CID 115166939) is N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide is COc1ccc(NC(=O)CS)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide?
The InChIKey is NYXOBOHSCBHPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-7-9(14-2)5-4-8(11(7)15-3)12-10(13)6-16/h4-5,16H,6H2,1-3H3,(H,12,13).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide?
N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide has a molecular weight of 241.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)-2-sulfanylacetamide is sourced from PubChem (CID 115166939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).