(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide

C19H19N3O4S — CID 121034453

IUPAC(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-15-4-6-16(7-5-15)10-14-27(24,25)20-11-12-22-19(23)9-8-17(21-22)18-3-2-13-26-18/h2-10,13-14,20H,11-12H2,1H3/b14-10+
InChIKeyAKYSIVVXODVBRB-GXDHUFHOSA-N
MW385.45 g/mol
LogP2.40
Rot. Bonds7

About (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 121034453) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID121034453
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1
InChIInChI=1S/C19H19N3O4S/c1-15-4-6-16(7-5-15)10-14-27(24,25)20-11-12-22-19(23)9-8-17(21-22)18-3-2-13-26-18/h2-10,13-14,20H,11-12H2,1H3/b14-10+
InChIKeyAKYSIVVXODVBRB-GXDHUFHOSA-N
XLogP2.40
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methoxybenzenesulfonamide
CID 121034447
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389
2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16905583
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
(E)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 56765838
2-(3-aminopropyl)-6-(furan-2-yl)pyridazin-3-one
CID 52903518
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
(E)-N-[2-(3-imidazol-1-yl-6-oxopyridazin-1-yl)ethyl]-2-phenylethenesulfonamide
CID 71790920
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(2-methoxy-4-methylphenoxy)propanamide
CID 121034335
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121084092
(E)-N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-2-(4-methylphenyl)ethenesulfonamide
CID 121022937

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide (CID 121034453) is (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NCCn2nc(-c3ccco3)ccc2=O)cc1.
What is the InChIKey of (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is AKYSIVVXODVBRB-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-15-4-6-16(7-5-15)10-14-27(24,25)20-11-12-22-19(23)9-8-17(21-22)18-3-2-13-26-18/h2-10,13-14,20H,11-12H2,1H3/b14-10+.
What are the key properties of (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 121034453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).