N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide

C18H17BrN4O4S2 — CID 20926913

IUPACN-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)ccc1Br
InChIInChI=1S/C18H17BrN4O4S2/c1-11-9-12(3-4-13(11)19)20-17(25)10-23(2)29(26,27)18-8-6-15(28-18)14-5-7-16(24)22-21-14/h3-9H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyQYPCTZJCESNSCJ-UHFFFAOYSA-N
MW497.40 g/mol
LogP2.83
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 20926913) has the molecular formula C18H17BrN4O4S2 and a molecular weight of 497.40 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID20926913
Molecular FormulaC18H17BrN4O4S2
Molecular Weight497.40 g/mol
Exact Mass495.99
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)ccc1Br
InChIInChI=1S/C18H17BrN4O4S2/c1-11-9-12(3-4-13(11)19)20-17(25)10-23(2)29(26,27)18-8-6-15(28-18)14-5-7-16(24)22-21-14/h3-9H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyQYPCTZJCESNSCJ-UHFFFAOYSA-N
XLogP2.83
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromo-2,3-dimethylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 6499077
N-(4-bromo-3,5-dimethylphenyl)-2-[6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl]acetamide
CID 6499078
N-(2,3-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926904
N-(2,6-Dimethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926905
N-(2-Ethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926924
N-(2-Ethyl-6-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926914
N-(4-bromo-3-methylphenyl)-2-[N-(4-methylphenyl)thiophene-2-sulfonamido]acetamide
CID 15990954
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
N'-[(1E)-1-(5-Bromothiophen-2-YL)ethylidene]-2-[(3-methylphenyl)amino]acetohydrazide
CID 21157533
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
N-(4-bromo-3-methylphenyl)-2-(6-oxo-3-(phenylsulfonyl)pyridazin-1(6H)-yl)acetamide
CID 30849545
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20926892

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 20926913) is N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is QYPCTZJCESNSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O4S2/c1-11-9-12(3-4-13(11)19)20-17(25)10-23(2)29(26,27)18-8-6-15(28-18)14-5-7-16(24)22-21-14/h3-9H,10H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide has a molecular weight of 497.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 20926913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).