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

C18H15FN4O3S — CID 42139322

IUPACN-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3S/c19-13-5-3-12(4-6-13)10-20-16(24)11-27-17-8-7-15(22-23-17)21-18(25)14-2-1-9-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyKANFUZYHKUQGKX-UHFFFAOYSA-N
MW386.41 g/mol
LogP2.87
Rot. Bonds7

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

N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (PubChem CID 42139322) has the molecular formula C18H15FN4O3S and a molecular weight of 386.41 g/mol. Its IUPAC name is N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
PubChem CID42139322
Molecular FormulaC18H15FN4O3S
Molecular Weight386.41 g/mol
Exact Mass386.08
IUPAC NameN-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
SMILESO=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O3S/c19-13-5-3-12(4-6-13)10-20-16(24)11-27-17-8-7-15(22-23-17)21-18(25)14-2-1-9-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25)
InChIKeyKANFUZYHKUQGKX-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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Related Compounds

N-[6-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139288
N-[6-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42139293
N-[6-[4-(1,3-benzodioxol-5-ylmethylamino)-4-oxobutyl]sulfanylpyridazin-3-yl]furan-2-carboxamide
CID 42173788
N-[6-(2-morpholin-4-ylethylsulfanyl)pyridazin-3-yl]furan-2-carboxamide
CID 30851593
2-[6-(benzylamino)pyridazin-3-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 53073932
N-[6-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridazin-3-yl]benzamide
CID 42138315
N-(4-fluorophenyl)-2-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]sulfanylacetamide
CID 53073983
N-[(4-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693965
N-[6-(2,4-difluoroanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113050490
N-[(4-fluorophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 2629170
N-[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]furan-2-carboxamide
CID 113028255
1-(4-fluorophenyl)-N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55595553

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The IUPAC name of N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide (CID 42139322) is N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is O=C(CSc1ccc(NC(=O)c2ccco2)nn1)NCc1ccc(F)cc1.
What is the InChIKey of N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
The InChIKey is KANFUZYHKUQGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O3S/c19-13-5-3-12(4-6-13)10-20-16(24)11-27-17-8-7-15(22-23-17)21-18(25)14-2-1-9-26-14/h1-9H,10-11H2,(H,20,24)(H,21,22,25).
What are the key properties of N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide?
N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide 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 N-[6-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanylpyridazin-3-yl]furan-2-carboxamide is sourced from PubChem (CID 42139322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).