4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

C22H22N4O5S2 — CID 2160478

IUPAC4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O5S2/c27-22(16-6-8-18(9-7-16)33(29,30)25-10-12-31-13-11-25)23-21-19-14-32(28)15-20(19)24-26(21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,27)
InChIKeySTJUEKOBTSDGFV-UHFFFAOYSA-N
MW486.58 g/mol
LogP1.91
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide

4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (PubChem CID 2160478) has the molecular formula C22H22N4O5S2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
PubChem CID2160478
Molecular FormulaC22H22N4O5S2
Molecular Weight486.58 g/mol
Exact Mass486.10
IUPAC Name4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H22N4O5S2/c27-22(16-6-8-18(9-7-16)33(29,30)25-10-12-31-13-11-25)23-21-19-14-32(28)15-20(19)24-26(21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,27)
InChIKeySTJUEKOBTSDGFV-UHFFFAOYSA-N
XLogP1.91
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide (CID 2160478) is 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
The InChIKey is STJUEKOBTSDGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O5S2/c27-22(16-6-8-18(9-7-16)33(29,30)25-10-12-31-13-11-25)23-21-19-14-32(28)15-20(19)24-26(21)17-4-2-1-3-5-17/h1-9H,10-15H2,(H,23,27).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide?
4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide has a molecular weight of 486.58 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-(5-oxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)benzamide is sourced from PubChem (CID 2160478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).