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

C18H21N3O4S2 — CID 20939831

IUPACN-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H21N3O4S2/c1-13(2)9-10-21(12-14-4-3-11-25-14)27(23,24)18-8-6-16(26-18)15-5-7-17(22)20-19-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyQKWBWLNBNYOHGR-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.33
Rot. Bonds8

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

N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939831) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939831
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCC(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H21N3O4S2/c1-13(2)9-10-21(12-14-4-3-11-25-14)27(23,24)18-8-6-16(26-18)15-5-7-17(22)20-19-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyQKWBWLNBNYOHGR-UHFFFAOYSA-N
XLogP3.33
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939831) is N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CC(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is QKWBWLNBNYOHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-13(2)9-10-21(12-14-4-3-11-25-14)27(23,24)18-8-6-16(26-18)15-5-7-17(22)20-19-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 407.52 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(3-methylbutyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).