N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide

C17H19NO2S — CID 17488047

IUPACN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-16(10-13(12)2)21-15-8-5-14(6-9-15)18-17(19)11-20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFWCTZKNEOYTIKS-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.04
Rot. Bonds5

About N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide

N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide (PubChem CID 17488047) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
PubChem CID17488047
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC NameN-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C17H19NO2S/c1-12-4-7-16(10-13(12)2)21-15-8-5-14(6-9-15)18-17(19)11-20-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyFWCTZKNEOYTIKS-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

[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 8018940
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-methoxyphenoxy)acetamide
CID 7925162
[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl] propanoate
CID 7851395
2-(3,4-dimethylphenoxy)-N-(4-phenylsulfanylphenyl)acetamide
CID 1121779
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 2-methoxyacetate
CID 7776150
cis-(1R,2S)-N-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 51873302
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26888725
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 7925136
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(3,4-dimethylphenyl)sulfanylphenyl]acetamide
CID 8010825
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 7794252

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide?
The IUPAC name of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide (CID 17488047) is N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide is COCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide?
The InChIKey is FWCTZKNEOYTIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-4-7-16(10-13(12)2)21-15-8-5-14(6-9-15)18-17(19)11-20-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide?
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide 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-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-methoxyacetamide is sourced from PubChem (CID 17488047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).