N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

C17H19NO2S — CID 35040719

IUPACN-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)18-17(19)11-21-15-6-4-5-14(10-15)20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyJWTNXSRHMUXPPL-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.04
Rot. Bonds5

About N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide

N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (PubChem CID 35040719) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
PubChem CID35040719
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
SMILESCOc1cccc(SCC(=O)Nc2ccc(C)cc2C)c1
InChIInChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)18-17(19)11-21-15-6-4-5-14(10-15)20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyJWTNXSRHMUXPPL-UHFFFAOYSA-N
XLogP4.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 29031142
N-(2,4-dimethylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 734052
N-(2,4-dimethylphenyl)-2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4023777
N-(2,4-dimethylphenyl)-2-(3-methoxyanilino)acetamide
CID 7636776
N-(2,4-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040661
2-(3-methoxyphenyl)sulfanyl-N-(2,4,5-trichlorophenyl)acetamide
CID 35040704
N-(2,6-dibromo-4-methylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35040789
N-(4-amino-2-methylphenyl)-2-(3-methylphenyl)sulfanylacetamide
CID 61244892
N-(2,4-dimethylphenyl)-2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylbenzamide
CID 26915197
N-(3,5-difluorophenyl)-2-(3-methoxyphenyl)sulfanylacetamide
CID 35042477
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
2-(4-chlorophenyl)-N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]acetamide
CID 18902461

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide (CID 35040719) is N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is COc1cccc(SCC(=O)Nc2ccc(C)cc2C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
The InChIKey is JWTNXSRHMUXPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-7-8-16(13(2)9-12)18-17(19)11-21-15-6-4-5-14(10-15)20-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide?
N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide has a molecular weight of 301.41 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-2-(3-methoxyphenyl)sulfanylacetamide is sourced from PubChem (CID 35040719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).