3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide

C15H20N4O4S2 — CID 71853824

IUPAC3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1CC
InChIInChI=1S/C15H20N4O4S2/c1-4-10-11(5-2)18-19-15(21)13(10)14(20)17-8-9-6-7-12(24-9)25(22,23)16-3/h6-7,16H,4-5,8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyLKDJDYVJOKEXMN-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.79
Rot. Bonds7

About 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide

3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 71853824) has the molecular formula C15H20N4O4S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID71853824
Molecular FormulaC15H20N4O4S2
Molecular Weight384.48 g/mol
Exact Mass384.09
IUPAC Name3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCCc1n[nH]c(=O)c(C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1CC
InChIInChI=1S/C15H20N4O4S2/c1-4-10-11(5-2)18-19-15(21)13(10)14(20)17-8-9-6-7-12(24-9)25(22,23)16-3/h6-7,16H,4-5,8H2,1-3H3,(H,17,20)(H,19,21)
InChIKeyLKDJDYVJOKEXMN-UHFFFAOYSA-N
XLogP0.79
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyridine-2-carboxamide
CID 47135355
3-methyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 47152765
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrazine-2-carboxamide
CID 47152750
4-bromo-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide
CID 47152770
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
2-(aminomethyl)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 119698675
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
CID 71968957
1-cyclopropyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]pyrrole-2-carboxamide
CID 75472961
N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-3-phenylprop-2-ynamide
CID 71982069
N-[[5-(diethylsulfamoyl)thiophen-2-yl]methyl]-4-(methylsulfamoyl)benzamide
CID 24598621
2-(cyclopropylmethylamino)-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]acetamide
CID 119698669

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide (CID 71853824) is 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide is CCc1n[nH]c(=O)c(C(=O)NCc2ccc(S(=O)(=O)NC)s2)c1CC.
What is the InChIKey of 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is LKDJDYVJOKEXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S2/c1-4-10-11(5-2)18-19-15(21)13(10)14(20)17-8-9-6-7-12(24-9)25(22,23)16-3/h6-7,16H,4-5,8H2,1-3H3,(H,17,20)(H,19,21).
What are the key properties of 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide?
3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 71853824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).