N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

C18H20N2O6S — CID 1143346

IUPACN-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-3-24-15-7-5-4-6-14(15)20(27(2,22)23)11-18(21)19-13-8-9-16-17(10-13)26-12-25-16/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyCZDAYTRTFSHYDY-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.22
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 1143346) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
PubChem CID1143346
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
SMILESCCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
InChIInChI=1S/C18H20N2O6S/c1-3-24-15-7-5-4-6-14(15)20(27(2,22)23)11-18(21)19-13-8-9-16-17(10-13)26-12-25-16/h4-10H,3,11-12H2,1-2H3,(H,19,21)
InChIKeyCZDAYTRTFSHYDY-UHFFFAOYSA-N
XLogP2.22
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide (CID 1143346) is N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is CZDAYTRTFSHYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-3-24-15-7-5-4-6-14(15)20(27(2,22)23)11-18(21)19-13-8-9-16-17(10-13)26-12-25-16/h4-10H,3,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 392.43 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(2-ethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1143346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).