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

C17H12F2N4O3S — CID 42139373

IUPACN-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N4O3S/c18-10-3-4-12(11(19)8-10)20-15(24)9-27-16-6-5-14(22-23-16)21-17(25)13-2-1-7-26-13/h1-8H,9H2,(H,20,24)(H,21,22,25)
InChIKeyRQFAOSBTCFNWHN-UHFFFAOYSA-N
MW390.37 g/mol
LogP3.33
Rot. Bonds6

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

N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139373) has the molecular formula C17H12F2N4O3S and a molecular weight of 390.37 g/mol. Its IUPAC name is N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
PubChem CID42139373
Molecular FormulaC17H12F2N4O3S
Molecular Weight390.37 g/mol
Exact Mass390.06
IUPAC NameN-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1F
InChIInChI=1S/C17H12F2N4O3S/c18-10-3-4-12(11(19)8-10)20-15(24)9-27-16-6-5-14(22-23-16)21-17(25)13-2-1-7-26-13/h1-8H,9H2,(H,20,24)(H,21,22,25)
InChIKeyRQFAOSBTCFNWHN-UHFFFAOYSA-N
XLogP3.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (CID 42139373) is N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is O=C(CSc1ccc(NC(=O)c2ccco2)nn1)Nc1ccc(F)cc1F.
What is the InChIKey of N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The InChIKey is RQFAOSBTCFNWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3S/c18-10-3-4-12(11(19)8-10)20-15(24)9-27-16-6-5-14(22-23-16)21-17(25)13-2-1-7-26-13/h1-8H,9H2,(H,20,24)(H,21,22,25).
What are the key properties of N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide has a molecular weight of 390.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2,4-difluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).