N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

C20H19ClN4O4S2 — CID 20926920

IUPACN-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C20H19ClN4O4S2/c1-12-4-5-13(21)11-15(12)22-20(27)16-3-2-10-25(16)31(28,29)19-9-7-17(30-19)14-6-8-18(26)24-23-14/h4-9,11,16H,2-3,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyUPTWMHNXWYNWIE-UHFFFAOYSA-N
MW478.98 g/mol
LogP3.25
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide

N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (PubChem CID 20926920) has the molecular formula C20H19ClN4O4S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
PubChem CID20926920
Molecular FormulaC20H19ClN4O4S2
Molecular Weight478.98 g/mol
Exact Mass478.05
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1
InChIInChI=1S/C20H19ClN4O4S2/c1-12-4-5-13(21)11-15(12)22-20(27)16-3-2-10-25(16)31(28,29)19-9-7-17(30-19)14-6-8-18(26)24-23-14/h4-9,11,16H,2-3,10H2,1H3,(H,22,27)(H,24,26)
InChIKeyUPTWMHNXWYNWIE-UHFFFAOYSA-N
XLogP3.25
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)acetamide
CID 6499071
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-(2,4-Dimethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926927
2-[N-Methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]-N-(2-methylphenyl)acetamide
CID 20926912
N-(2,6-Dimethylphenyl)-1-{[5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophen-2-YL]sulfonyl}pyrrolidine-2-carboxamide
CID 20926923
N-(2-Ethylphenyl)-2-[N-methyl5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamido]acetamide
CID 20926906
N-[2-(2,3-Dihydro-1H-indol-1-YL)-2-oxoethyl]-N-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)thiophene-2-sulfonamide
CID 20926908
6-(5-{[2-(2,3-Dihydro-1H-indole-1-carbonyl)pyrrolidin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20926926
N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
CID 46281813
6-(5-{[4-(5-Chloro-2-methylphenyl)piperazin-1-YL]sulfonyl}thiophen-2-YL)-2,3-dihydropyridazin-3-one
CID 20923030
N-(3-chlorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide
CID 20926917

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide (CID 20926920) is N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(-c2ccc(=O)[nH]n2)s1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UPTWMHNXWYNWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S2/c1-12-4-5-13(21)11-15(12)22-20(27)16-3-2-10-25(16)31(28,29)19-9-7-17(30-19)14-6-8-18(26)24-23-14/h4-9,11,16H,2-3,10H2,1H3,(H,22,27)(H,24,26).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 20926920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).