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

C18H17N3O3S — CID 121034366

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H17N3O3S/c1-25-16-7-3-2-5-13(16)18(23)19-10-11-21-17(22)9-8-14(20-21)15-6-4-12-24-15/h2-9,12H,10-11H2,1H3,(H,19,23)
InChIKeyKRSFADRWDIXKNE-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.66
Rot. Bonds6

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

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide (PubChem CID 121034366) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
PubChem CID121034366
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
SMILESCSc1ccccc1C(=O)NCCn1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H17N3O3S/c1-25-16-7-3-2-5-13(16)18(23)19-10-11-21-17(22)9-8-14(20-21)15-6-4-12-24-15/h2-9,12H,10-11H2,1H3,(H,19,23)
InChIKeyKRSFADRWDIXKNE-UHFFFAOYSA-N
XLogP2.66
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
CID 52904228
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905538
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
2-ethylsulfanyl-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 121033580
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide (CID 121034366) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide is CSc1ccccc1C(=O)NCCn1nc(-c2ccco2)ccc1=O.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide?
The InChIKey is KRSFADRWDIXKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-25-16-7-3-2-5-13(16)18(23)19-10-11-21-17(22)9-8-14(20-21)15-6-4-12-24-15/h2-9,12H,10-11H2,1H3,(H,19,23).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide has a molecular weight of 355.42 g/mol, XLogP of 2.66, 6 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]-2-methylsulfanylbenzamide is sourced from PubChem (CID 121034366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).