N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide

C19H18N2O5S — CID 2053104

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide
SMILESCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-21-11-18(14-4-2-3-5-15(14)21)27(23,24)12-19(22)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyGDROQXFQSXNBIS-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.36
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide (PubChem CID 2053104) has the molecular formula C19H18N2O5S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide
PubChem CID2053104
Molecular FormulaC19H18N2O5S
Molecular Weight386.43 g/mol
Exact Mass386.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide
SMILESCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C19H18N2O5S/c1-21-11-18(14-4-2-3-5-15(14)21)27(23,24)12-19(22)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyGDROQXFQSXNBIS-UHFFFAOYSA-N
XLogP2.36
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide (CID 2053104) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide is Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide?
The InChIKey is GDROQXFQSXNBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5S/c1-21-11-18(14-4-2-3-5-15(14)21)27(23,24)12-19(22)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide has a molecular weight of 386.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfonylacetamide is sourced from PubChem (CID 2053104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).