2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide

C19H22N2O6S — CID 654543

IUPAC2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6S/c1-25-15-7-4-13(5-8-15)20-18(22)11-28(24)12-19(23)21-14-6-9-16(26-2)17(10-14)27-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNZGBGNRUYAWEJU-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.04
Rot. Bonds9

About 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide

2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (PubChem CID 654543) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
PubChem CID654543
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6S/c1-25-15-7-4-13(5-8-15)20-18(22)11-28(24)12-19(23)21-14-6-9-16(26-2)17(10-14)27-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNZGBGNRUYAWEJU-UHFFFAOYSA-N
XLogP2.04
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide (CID 654543) is 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is NZGBGNRUYAWEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-25-15-7-4-13(5-8-15)20-18(22)11-28(24)12-19(23)21-14-6-9-16(26-2)17(10-14)27-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide?
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 406.46 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfinyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 654543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).