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

C22H21FN4O5S2 — CID 2160481

IUPACN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H21FN4O5S2/c23-16-3-5-17(6-4-16)27-21(19-13-33(29)14-20(19)25-27)24-22(28)15-1-7-18(8-2-15)34(30,31)26-9-11-32-12-10-26/h1-8H,9-14H2,(H,24,28)
InChIKeySTDXKLUKYPFFDH-UHFFFAOYSA-N
MW504.57 g/mol
LogP2.05
Rot. Bonds5

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

N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2160481) has the molecular formula C22H21FN4O5S2 and a molecular weight of 504.57 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2160481
Molecular FormulaC22H21FN4O5S2
Molecular Weight504.57 g/mol
Exact Mass504.09
IUPAC NameN-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H21FN4O5S2/c23-16-3-5-17(6-4-16)27-21(19-13-33(29)14-20(19)25-27)24-22(28)15-1-7-18(8-2-15)34(30,31)26-9-11-32-12-10-26/h1-8H,9-14H2,(H,24,28)
InChIKeySTDXKLUKYPFFDH-UHFFFAOYSA-N
XLogP2.05
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.57
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide (CID 2160481) is N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is O=C(Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is STDXKLUKYPFFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O5S2/c23-16-3-5-17(6-4-16)27-21(19-13-33(29)14-20(19)25-27)24-22(28)15-1-7-18(8-2-15)34(30,31)26-9-11-32-12-10-26/h1-8H,9-14H2,(H,24,28).
What are the key properties of N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 504.57 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2160481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).