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

C19H18N2O3S — CID 4663634

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-21-11-18(14-4-2-3-5-15(14)21)25-12-19(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyKEWYZVKHGDWOBD-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.68
Rot. Bonds4

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide (PubChem CID 4663634) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
PubChem CID4663634
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide
SMILESCn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C19H18N2O3S/c1-21-11-18(14-4-2-3-5-15(14)21)25-12-19(22)20-13-6-7-16-17(10-13)24-9-8-23-16/h2-7,10-11H,8-9,12H2,1H3,(H,20,22)
InChIKeyKEWYZVKHGDWOBD-UHFFFAOYSA-N
XLogP3.68
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)sulfanylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide (CID 4663634) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide is Cn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide?
The InChIKey is KEWYZVKHGDWOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-21-11-18(14-4-2-3-5-15(14)21)25-12-19(22)20-13-6-7-16-17(10-13)24-9-8-23-16/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)sulfanylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylindol-3-yl)sulfanylacetamide has a molecular weight of 354.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 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)sulfanylacetamide is sourced from PubChem (CID 4663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).