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

C19H20N4O4S2 — CID 20926906

IUPACN-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H20N4O4S2/c1-3-13-6-4-5-7-14(13)20-18(25)12-23(2)29(26,27)19-11-9-16(28-19)15-8-10-17(24)22-21-15/h4-11H,3,12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyVMCVCPBZUIETLS-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.32
Rot. Bonds7

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

N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (PubChem CID 20926906) has the molecular formula C19H20N4O4S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
PubChem CID20926906
Molecular FormulaC19H20N4O4S2
Molecular Weight432.53 g/mol
Exact Mass432.09
IUPAC NameN-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C19H20N4O4S2/c1-3-13-6-4-5-7-14(13)20-18(25)12-23(2)29(26,27)19-11-9-16(28-19)15-8-10-17(24)22-21-15/h4-11H,3,12H2,1-2H3,(H,20,25)(H,22,24)
InChIKeyVMCVCPBZUIETLS-UHFFFAOYSA-N
XLogP2.32
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-Dimethyl-phenyl)-2-(6-oxo-3-thiophen-2-yl-6H-pyridazin-1-yl)-acetamide
CID 6499073
N-(4-Ethylphenyl)-2-methyl-5-(2-thienyl)-2H-1,2,6-thiadiazine-3-carboxamide 1,1-dioxide
CID 16017236
1,1-diketo-2-methyl-N-(p-tolyl)-5-(2-thienyl)-1,2,6-thiadiazine-3-carboxamide
CID 16017256
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-(5-Chloro-2-methylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926920
N-(2,4-Difluorophenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926922
N-(2-Ethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926924
N-(4-methylphenyl)-N-(2-oxo-2-{2-[1-(2-thienyl)ethylidene]hydrazino}ethyl)methanesulfonamide
CID 9676566
N-(2-Ethyl-6-methylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926914
N-(2,4-Dimethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926927
N-(3,4-dimethylphenyl)-N-methyl-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939814

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide (CID 20926906) is N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is CCc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
The InChIKey is VMCVCPBZUIETLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S2/c1-3-13-6-4-5-7-14(13)20-18(25)12-23(2)29(26,27)19-11-9-16(28-19)15-8-10-17(24)22-21-15/h4-11H,3,12H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide?
N-(2-ethylphenyl)-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 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[methyl-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylamino]acetamide is sourced from PubChem (CID 20926906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).