N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

C18H15N3O4S — CID 7207181

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O4S/c22-17(19-9-12-3-5-15-16(8-12)25-11-24-15)10-26-18-6-4-13(20-21-18)14-2-1-7-23-14/h1-8H,9-11H2,(H,19,22)
InChIKeyCESJYCBWFKONSK-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.87
Rot. Bonds6

About N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (PubChem CID 7207181) has the molecular formula C18H15N3O4S and a molecular weight of 369.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
PubChem CID7207181
Molecular FormulaC18H15N3O4S
Molecular Weight369.40 g/mol
Exact Mass369.08
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H15N3O4S/c22-17(19-9-12-3-5-15-16(8-12)25-11-24-15)10-26-18-6-4-13(20-21-18)14-2-1-7-23-14/h1-8H,9-11H2,(H,19,22)
InChIKeyCESJYCBWFKONSK-UHFFFAOYSA-N
XLogP2.87
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide (CID 7207181) is N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is O=C(CSc1ccc(-c2ccco2)nn1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
The InChIKey is CESJYCBWFKONSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O4S/c22-17(19-9-12-3-5-15-16(8-12)25-11-24-15)10-26-18-6-4-13(20-21-18)14-2-1-7-23-14/h1-8H,9-11H2,(H,19,22).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide has a molecular weight of 369.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 7207181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).