2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

C18H15FN4O3S — CID 42139079

IUPAC2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1ccco1
InChIInChI=1S/C18H15FN4O3S/c19-14-6-2-1-5-13(14)18(25)21-15-7-8-17(23-22-15)27-11-16(24)20-10-12-4-3-9-26-12/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyKXEAUXANALFSRL-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.87
Rot. Bonds7

About 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide

2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (PubChem CID 42139079) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
PubChem CID42139079
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC Name2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide
SMILESO=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1ccco1
InChIInChI=1S/C18H15FN4O3S/c19-14-6-2-1-5-13(14)18(25)21-15-7-8-17(23-22-15)27-11-16(24)20-10-12-4-3-9-26-12/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyKXEAUXANALFSRL-UHFFFAOYSA-N
XLogP2.87
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide (CID 42139079) is 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is O=C(CSc1ccc(NC(=O)c2ccccc2F)nn1)NCc1ccco1.
What is the InChIKey of 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
The InChIKey is KXEAUXANALFSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-14-6-2-1-5-13(14)18(25)21-15-7-8-17(23-22-15)27-11-16(24)20-10-12-4-3-9-26-12/h1-9H,10-11H2,(H,20,24)(H,21,22,25).
What are the key properties of 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide?
2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide has a molecular weight of 386.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylpyridazin-3-yl]benzamide is sourced from PubChem (CID 42139079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).