N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

C17H15N3O2S — CID 3228000

IUPACN-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccco1
InChIInChI=1S/C17H15N3O2S/c21-16(18-11-14-7-4-10-22-14)12-23-17-9-8-15(19-20-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21)
InChIKeyBBNIIKJMKBWQAD-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.15
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide

N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (PubChem CID 3228000) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
PubChem CID3228000
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC NameN-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
SMILESO=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccco1
InChIInChI=1S/C17H15N3O2S/c21-16(18-11-14-7-4-10-22-14)12-23-17-9-8-15(19-20-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21)
InChIKeyBBNIIKJMKBWQAD-UHFFFAOYSA-N
XLogP3.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide (CID 3228000) is N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is O=C(CSc1ccc(-c2ccccc2)nn1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
The InChIKey is BBNIIKJMKBWQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c21-16(18-11-14-7-4-10-22-14)12-23-17-9-8-15(19-20-17)13-5-2-1-3-6-13/h1-10H,11-12H2,(H,18,21).
What are the key properties of N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide?
N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide has a molecular weight of 325.39 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide is sourced from PubChem (CID 3228000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).