2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide

C18H18N4O4S2 — CID 20926912

IUPAC2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H18N4O4S2/c1-12-5-3-4-6-13(12)19-17(24)11-22(2)28(25,26)18-10-8-15(27-18)14-7-9-16(23)21-20-14/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyBLAQGYLIBSWPAQ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.07
Rot. Bonds6

About 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide

2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide (PubChem CID 20926912) has the molecular formula C18H18N4O4S2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide
PubChem CID20926912
Molecular FormulaC18H18N4O4S2
Molecular Weight418.50 g/mol
Exact Mass418.08
IUPAC Name2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H18N4O4S2/c1-12-5-3-4-6-13(12)19-17(24)11-22(2)28(25,26)18-10-8-15(27-18)14-7-9-16(23)21-20-14/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23)
InChIKeyBLAQGYLIBSWPAQ-UHFFFAOYSA-N
XLogP2.07
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide (CID 20926912) is 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is BLAQGYLIBSWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S2/c1-12-5-3-4-6-13(12)19-17(24)11-22(2)28(25,26)18-10-8-15(27-18)14-7-9-16(23)21-20-14/h3-10H,11H2,1-2H3,(H,19,24)(H,21,23).
What are the key properties of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide?
2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 418.50 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 20926912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).