N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C19H22N4O5S2 — CID 20939838

IUPACN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N(CCN3CCOCC3)Cc3ccco3)s2)n[nH]1
InChIInChI=1S/C19H22N4O5S2/c24-18-5-3-16(20-21-18)17-4-6-19(29-17)30(25,26)23(14-15-2-1-11-28-15)8-7-22-9-12-27-13-10-22/h1-6,11H,7-10,12-14H2,(H,21,24)
InChIKeyLQRLXJLNJXOGQY-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.61
Rot. Bonds8

About N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939838) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939838
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC NameN-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N(CCN3CCOCC3)Cc3ccco3)s2)n[nH]1
InChIInChI=1S/C19H22N4O5S2/c24-18-5-3-16(20-21-18)17-4-6-19(29-17)30(25,26)23(14-15-2-1-11-28-15)8-7-22-9-12-27-13-10-22/h1-6,11H,7-10,12-14H2,(H,21,24)
InChIKeyLQRLXJLNJXOGQY-UHFFFAOYSA-N
XLogP1.61
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939838) is N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)N(CCN3CCOCC3)Cc3ccco3)s2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is LQRLXJLNJXOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c24-18-5-3-16(20-21-18)17-4-6-19(29-17)30(25,26)23(14-15-2-1-11-28-15)8-7-22-9-12-27-13-10-22/h1-6,11H,7-10,12-14H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 450.54 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).