N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C14H15N3O5S — CID 51973203

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H15N3O5S/c18-13(15-10-5-7-23(20,21)9-10)8-17-14(19)4-3-11(16-17)12-2-1-6-22-12/h1-4,6,10H,5,7-9H2,(H,15,18)/t10-/m0/s1
InChIKeyIDVWFQBVMGHZQN-JTQLQIEISA-N
MW337.36 g/mol
LogP-0.19
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 51973203) has the molecular formula C14H15N3O5S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID51973203
Molecular FormulaC14H15N3O5S
Molecular Weight337.36 g/mol
Exact Mass337.07
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H15N3O5S/c18-13(15-10-5-7-23(20,21)9-10)8-17-14(19)4-3-11(16-17)12-2-1-6-22-12/h1-4,6,10H,5,7-9H2,(H,15,18)/t10-/m0/s1
InChIKeyIDVWFQBVMGHZQN-JTQLQIEISA-N
XLogP-0.19
TPSA111.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 56761226
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-[(2R)-6-methylheptan-2-yl]acetamide
CID 52897576
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
methyl (2R)-2-[[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetyl]amino]-4-methylpentanoate
CID 124854745
2-(3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 45148400
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 95153079
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[[5-(furan-2-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 6601326
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
N-(9H-fluoren-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049822
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049762

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 51973203) is N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is IDVWFQBVMGHZQN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O5S/c18-13(15-10-5-7-23(20,21)9-10)8-17-14(19)4-3-11(16-17)12-2-1-6-22-12/h1-4,6,10H,5,7-9H2,(H,15,18)/t10-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 337.36 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 51973203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).