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

C20H22N4O4S2 — CID 20926914

IUPACN-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C20H22N4O4S2/c1-4-14-7-5-6-13(2)20(14)21-18(26)12-24(3)30(27,28)19-11-9-16(29-19)15-8-10-17(25)23-22-15/h5-11H,4,12H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyJSWBABQMVXMTCB-UHFFFAOYSA-N
MW446.55 g/mol
LogP2.63
Rot. Bonds7

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

N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 20926914) has the molecular formula C20H22N4O4S2 and a molecular weight of 446.55 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID20926914
Molecular FormulaC20H22N4O4S2
Molecular Weight446.55 g/mol
Exact Mass446.11
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C20H22N4O4S2/c1-4-14-7-5-6-13(2)20(14)21-18(26)12-24(3)30(27,28)19-11-9-16(29-19)15-8-10-17(25)23-22-15/h5-11H,4,12H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyJSWBABQMVXMTCB-UHFFFAOYSA-N
XLogP2.63
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 20926914) is N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is CCc1cccc(C)c1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is JSWBABQMVXMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S2/c1-4-14-7-5-6-13(2)20(14)21-18(26)12-24(3)30(27,28)19-11-9-16(29-19)15-8-10-17(25)23-22-15/h5-11H,4,12H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide has a molecular weight of 446.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 20926914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).