N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide

C19H19N3O3S — CID 16905559

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H19N3O3S/c23-18(10-14-26-15-5-2-1-3-6-15)20-11-12-22-19(24)9-8-16(21-22)17-7-4-13-25-17/h1-9,13H,10-12,14H2,(H,20,23)
InChIKeyKVZYLKQGNNUEAE-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.80
Rot. Bonds8

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide (PubChem CID 16905559) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide
PubChem CID16905559
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C19H19N3O3S/c23-18(10-14-26-15-5-2-1-3-6-15)20-11-12-22-19(24)9-8-16(21-22)17-7-4-13-25-17/h1-9,13H,10-12,14H2,(H,20,23)
InChIKeyKVZYLKQGNNUEAE-UHFFFAOYSA-N
XLogP2.80
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide (CID 16905559) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide?
The InChIKey is KVZYLKQGNNUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-18(10-14-26-15-5-2-1-3-6-15)20-11-12-22-19(24)9-8-16(21-22)17-7-4-13-25-17/h1-9,13H,10-12,14H2,(H,20,23).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide has a molecular weight of 369.45 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 16905559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).