ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate

C19H19N3O5S2 — CID 24790916

IUPACethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate
SMILESCCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H19N3O5S2/c1-2-27-18(24)12-13-22(14-6-4-3-5-7-14)29(25,26)19-11-9-16(28-19)15-8-10-17(23)21-20-15/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeySZNHCQSQVQISOZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.65
Rot. Bonds8

About ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate

ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate (PubChem CID 24790916) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate.

Molecular Properties

Compound Nameethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate
PubChem CID24790916
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Nameethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate
SMILESCCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H19N3O5S2/c1-2-27-18(24)12-13-22(14-6-4-3-5-7-14)29(25,26)19-11-9-16(28-19)15-8-10-17(23)21-20-15/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeySZNHCQSQVQISOZ-UHFFFAOYSA-N
XLogP2.65
TPSA109.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-(N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)sulfamoyl)phenyl)propionamide
CID 16905829
6-{5-[(4-Phenylpiperazin-1-YL)sulfonyl]thiophen-2-YL}-2,3-dihydropyridazin-3-one
CID 20923024
4-[6-oxo-3-(thiophen-2-yl)-1,6-dihydropyridazin-1-yl]-N-(4-sulfamoylphenyl)butanamide
CID 25854572
N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923083
6-(5-{[4-(4-Fluorophenyl)piperazin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20939792
N-(2-fluorophenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-propylthiophene-2-sulfonamide
CID 20939816
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633712
N-ethyl-5-(6-oxo-1H-pyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
CID 20923015
N-methyl-N-(4-methylphenyl)-5-(6-oxo-1,6-dihydropyridazin-3-yl)thiophene-2-sulfonamide
CID 20923070
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 20939824
5-(6-oxo-1,6-dihydropyridazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
CID 20939865
N-ethyl-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonyl-N-phenylpyrrolidine-2-carboxamide
CID 46281812

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate?
The IUPAC name of ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate (CID 24790916) is ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate.
What is the SMILES notation for ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate?
The canonical SMILES for ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate is CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate?
The InChIKey is SZNHCQSQVQISOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-2-27-18(24)12-13-22(14-6-4-3-5-7-14)29(25,26)19-11-9-16(28-19)15-8-10-17(23)21-20-15/h3-11H,2,12-13H2,1H3,(H,21,23).
What are the key properties of ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate?
ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate has a molecular weight of 433.51 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(N-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylanilino)propanoate is sourced from PubChem (CID 24790916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).