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

C18H15F3N4O4S2 — CID 20926892

IUPAC2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H15F3N4O4S2/c1-25(10-16(27)22-12-4-2-3-11(9-12)18(19,20)21)31(28,29)17-8-6-14(30-17)13-5-7-15(26)24-23-13/h2-9H,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyYDGLPHPQFKCCEG-UHFFFAOYSA-N
MW472.47 g/mol
LogP2.78
Rot. Bonds6

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

2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 20926892) has the molecular formula C18H15F3N4O4S2 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID20926892
Molecular FormulaC18H15F3N4O4S2
Molecular Weight472.47 g/mol
Exact Mass472.05
IUPAC Name2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C18H15F3N4O4S2/c1-25(10-16(27)22-12-4-2-3-11(9-12)18(19,20)21)31(28,29)17-8-6-14(30-17)13-5-7-15(26)24-23-13/h2-9H,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyYDGLPHPQFKCCEG-UHFFFAOYSA-N
XLogP2.78
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 52.78
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-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 20926892) is 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C(F)(F)F)c1)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-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YDGLPHPQFKCCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S2/c1-25(10-16(27)22-12-4-2-3-11(9-12)18(19,20)21)31(28,29)17-8-6-14(30-17)13-5-7-15(26)24-23-13/h2-9H,10H2,1H3,(H,22,27)(H,24,26).
What are the key properties of 2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 472.47 g/mol, XLogP of 2.78, 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 20926892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).