2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

C20H24N2O6S — CID 35495479

IUPAC2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H24N2O6S/c1-25-13-5-7-17(27-3)15(9-13)21-19(23)11-29-12-20(24)22-16-10-14(26-2)6-8-18(16)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAIASYBHQHRLFMP-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.03
Rot. Bonds10

About 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide

2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 35495479) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID35495479
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Name2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CSCC(=O)Nc2cc(OC)ccc2OC)c1
InChIInChI=1S/C20H24N2O6S/c1-25-13-5-7-17(27-3)15(9-13)21-19(23)11-29-12-20(24)22-16-10-14(26-2)6-8-18(16)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyAIASYBHQHRLFMP-UHFFFAOYSA-N
XLogP3.03
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 8907113
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930
N-(2,5-dimethoxyphenyl)-2-[2-(4-propoxyphenoxy)ethylsulfanyl]acetamide
CID 31547774
N-(2,5-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]acetamide
CID 31544280
N-(2,5-dimethoxyphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2609676
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
2-[(2,3-difluorophenyl)methylsulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
CID 26635675
N-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-ylethylsulfanyl)acetamide
CID 134064364
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-(2,5-dimethoxyphenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17434098

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide (CID 35495479) is 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CSCC(=O)Nc2cc(OC)ccc2OC)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is AIASYBHQHRLFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-25-13-5-7-17(27-3)15(9-13)21-19(23)11-29-12-20(24)22-16-10-14(26-2)6-8-18(16)28-4/h5-10H,11-12H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide?
2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 420.49 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 35495479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).