N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide

C23H24N4O6S2 — CID 2160482

IUPACN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CS(=O)C3)cc1
InChIInChI=1S/C23H24N4O6S2/c1-32-18-6-4-17(5-7-18)27-22(20-14-34(29)15-21(20)25-27)24-23(28)16-2-8-19(9-3-16)35(30,31)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyXPBVFQIMCOMOEH-UHFFFAOYSA-N
MW516.60 g/mol
LogP1.92
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2160482) has the molecular formula C23H24N4O6S2 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2160482
Molecular FormulaC23H24N4O6S2
Molecular Weight516.60 g/mol
Exact Mass516.11
IUPAC NameN-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CS(=O)C3)cc1
InChIInChI=1S/C23H24N4O6S2/c1-32-18-6-4-17(5-7-18)27-22(20-14-34(29)15-21(20)25-27)24-23(28)16-2-8-19(9-3-16)35(30,31)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3,(H,24,28)
InChIKeyXPBVFQIMCOMOEH-UHFFFAOYSA-N
XLogP1.92
TPSA119.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-bromo-N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160339
4-isopropoxy-N-[2-(4-methylphenyl)-5-oxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160486
N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 3242594
N-[2-(4-fluorophenyl)-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-4-(morpholin-4-ylsulfonyl)benzamide
CID 3244628
N-[2-(4-fluorophenyl)-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 5060830
4-ethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 2160378
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-ethoxybenzamide
CID 5078795
N-(2-(4-methoxyphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-2-(m-tolyl)acetamide
CID 2160236
4-(morpholinosulfonyl)-N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
CID 2160478
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 2160481
2,6-difluoro-N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
CID 3305094
4-(2,5-dioxo-1-pyrrolidinyl)-N-[2-(4-methoxyphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
CID 4343914

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 2160482) is N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CS(=O)C3)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XPBVFQIMCOMOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6S2/c1-32-18-6-4-17(5-7-18)27-22(20-14-34(29)15-21(20)25-27)24-23(28)16-2-8-19(9-3-16)35(30,31)26-10-12-33-13-11-26/h2-9H,10-15H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 516.60 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2160482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).