N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

C19H16N2O4S — CID 3244830

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H16N2O4S/c1-21-14-5-3-2-4-13(14)17(9-19(21)23)26-10-18(22)20-12-6-7-15-16(8-12)25-11-24-15/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyRCMVJKLFDZQVCM-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.00
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide

N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (PubChem CID 3244830) has the molecular formula C19H16N2O4S and a molecular weight of 368.41 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
PubChem CID3244830
Molecular FormulaC19H16N2O4S
Molecular Weight368.41 g/mol
Exact Mass368.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide
SMILESCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
InChIInChI=1S/C19H16N2O4S/c1-21-14-5-3-2-4-13(14)17(9-19(21)23)26-10-18(22)20-12-6-7-15-16(8-12)25-11-24-15/h2-9H,10-11H2,1H3,(H,20,22)
InChIKeyRCMVJKLFDZQVCM-UHFFFAOYSA-N
XLogP3.00
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.00
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-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide (CID 3244830) is N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is Cn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
The InChIKey is RCMVJKLFDZQVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4S/c1-21-14-5-3-2-4-13(14)17(9-19(21)23)26-10-18(22)20-12-6-7-15-16(8-12)25-11-24-15/h2-9H,10-11H2,1H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide has a molecular weight of 368.41 g/mol, XLogP of 3.00, 4 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-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetamide is sourced from PubChem (CID 3244830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).