N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

C18H18N4O5S2 — CID 20926925

IUPACN-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H18N4O5S2/c23-16-7-5-13(20-21-16)15-6-8-17(28-15)29(25,26)22-9-1-4-14(22)18(24)19-11-12-3-2-10-27-12/h2-3,5-8,10,14H,1,4,9,11H2,(H,19,24)(H,21,23)
InChIKeyZFLLNSYQRLRMCW-UHFFFAOYSA-N
MW434.50 g/mol
LogP1.56
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 20926925) has the molecular formula C18H18N4O5S2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
PubChem CID20926925
Molecular FormulaC18H18N4O5S2
Molecular Weight434.50 g/mol
Exact Mass434.07
IUPAC NameN-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H18N4O5S2/c23-16-7-5-13(20-21-16)15-6-8-17(28-15)29(25,26)22-9-1-4-14(22)18(24)19-11-12-3-2-10-27-12/h2-3,5-8,10,14H,1,4,9,11H2,(H,19,24)(H,21,23)
InChIKeyZFLLNSYQRLRMCW-UHFFFAOYSA-N
XLogP1.56
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (CID 20926925) is N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccco1)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is ZFLLNSYQRLRMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O5S2/c23-16-7-5-13(20-21-16)15-6-8-17(28-15)29(25,26)22-9-1-4-14(22)18(24)19-11-12-3-2-10-27-12/h2-3,5-8,10,14H,1,4,9,11H2,(H,19,24)(H,21,23).
What are the key properties of N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 20926925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).