N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C17H20N4O4S2 — CID 20939832

IUPACN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H20N4O4S2/c1-20(2)9-10-21(12-13-4-3-11-25-13)27(23,24)17-8-6-15(26-17)14-5-7-16(22)19-18-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyYIANQSMKCHUZFH-UHFFFAOYSA-N
MW408.51 g/mol
LogP1.84
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939832) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939832
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESCN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C17H20N4O4S2/c1-20(2)9-10-21(12-13-4-3-11-25-13)27(23,24)17-8-6-15(26-17)14-5-7-16(22)19-18-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,22)
InChIKeyYIANQSMKCHUZFH-UHFFFAOYSA-N
XLogP1.84
TPSA99.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939832) is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is CN(C)CCN(Cc1ccco1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is YIANQSMKCHUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-20(2)9-10-21(12-13-4-3-11-25-13)27(23,24)17-8-6-15(26-17)14-5-7-16(22)19-18-14/h3-8,11H,9-10,12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 408.51 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).