N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

C17H13FN4O3S — CID 42139314

IUPACN-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3S/c18-11-3-5-12(6-4-11)19-15(23)10-26-16-8-7-14(21-22-16)20-17(24)13-2-1-9-25-13/h1-9H,10H2,(H,19,23)(H,20,21,24)
InChIKeyOOMUXWWMDNQPFX-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.19
Rot. Bonds6

About N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide

N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139314) has the molecular formula C17H13FN4O3S and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
PubChem CID42139314
Molecular FormulaC17H13FN4O3S
Molecular Weight372.38 g/mol
Exact Mass372.07
IUPAC NameN-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN4O3S/c18-11-3-5-12(6-4-11)19-15(23)10-26-16-8-7-14(21-22-16)20-17(24)13-2-1-9-25-13/h1-9H,10H2,(H,19,23)(H,20,21,24)
InChIKeyOOMUXWWMDNQPFX-UHFFFAOYSA-N
XLogP3.19
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (CID 42139314) is N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The InChIKey is OOMUXWWMDNQPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O3S/c18-11-3-5-12(6-4-11)19-15(23)10-26-16-8-7-14(21-22-16)20-17(24)13-2-1-9-25-13/h1-9H,10H2,(H,19,23)(H,20,21,24).
What are the key properties of N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).