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

C17H19N3O4S2 — CID 20939830

IUPACN-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O4S2/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyDYFYRCDYBTYEAR-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.08
Rot. Bonds8

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

N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939830) has the molecular formula C17H19N3O4S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939830
Molecular FormulaC17H19N3O4S2
Molecular Weight393.49 g/mol
Exact Mass393.08
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCCCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H19N3O4S2/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21)
InChIKeyDYFYRCDYBTYEAR-UHFFFAOYSA-N
XLogP3.08
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939830) is N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CCCCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is DYFYRCDYBTYEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S2/c1-2-3-10-20(12-13-5-4-11-24-13)26(22,23)17-9-7-15(25-17)14-6-8-16(21)19-18-14/h4-9,11H,2-3,10,12H2,1H3,(H,19,21).
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 393.49 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).