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

C19H20N4O4S2 — CID 20926904

IUPACN-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1C
InChIInChI=1S/C19H20N4O4S2/c1-12-5-4-6-14(13(12)2)20-18(25)11-23(3)29(26,27)19-10-8-16(28-19)15-7-9-17(24)22-21-15/h4-10H,11H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyVXCVXWGKKBOOLA-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.37
Rot. Bonds6

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

N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 20926904) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID20926904
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1C
InChIInChI=1S/C19H20N4O4S2/c1-12-5-4-6-14(13(12)2)20-18(25)11-23(3)29(26,27)19-10-8-16(28-19)15-7-9-17(24)22-21-15/h4-10H,11H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyVXCVXWGKKBOOLA-UHFFFAOYSA-N
XLogP2.37
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 20926904) is N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is VXCVXWGKKBOOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-12-5-4-6-14(13(12)2)20-18(25)11-23(3)29(26,27)19-10-8-16(28-19)15-7-9-17(24)22-21-15/h4-10H,11H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide has a molecular weight of 432.53 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 20926904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).