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

C20H24N4O5S2 — CID 20939801

IUPACN-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N(CCCN3CCOCC3)Cc3ccco3)s2)n[nH]1
InChIInChI=1S/C20H24N4O5S2/c25-19-6-4-17(21-22-19)18-5-7-20(30-18)31(26,27)24(15-16-3-1-12-29-16)9-2-8-23-10-13-28-14-11-23/h1,3-7,12H,2,8-11,13-15H2,(H,22,25)
InChIKeyBMBYJIDVTLGZOS-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.00
Rot. Bonds9

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

N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939801) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939801
Molecular FormulaC20H24N4O5S2
Molecular Weight464.57 g/mol
Exact Mass464.12
IUPAC NameN-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N(CCCN3CCOCC3)Cc3ccco3)s2)n[nH]1
InChIInChI=1S/C20H24N4O5S2/c25-19-6-4-17(21-22-19)18-5-7-20(30-18)31(26,27)24(15-16-3-1-12-29-16)9-2-8-23-10-13-28-14-11-23/h1,3-7,12H,2,8-11,13-15H2,(H,22,25)
InChIKeyBMBYJIDVTLGZOS-UHFFFAOYSA-N
XLogP2.00
TPSA108.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.00
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-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939801) is N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)N(CCCN3CCOCC3)Cc3ccco3)s2)n[nH]1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is BMBYJIDVTLGZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c25-19-6-4-17(21-22-19)18-5-7-20(30-18)31(26,27)24(15-16-3-1-12-29-16)9-2-8-23-10-13-28-14-11-23/h1,3-7,12H,2,8-11,13-15H2,(H,22,25).
What are the key properties of N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 464.57 g/mol, XLogP of 2.00, 9 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-(3-morpholin-4-ylpropyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).