5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide

C22H15N3O2S — CID 46230617

IUPAC5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)c1ccccc1-2
InChIInChI=1S/C22H15N3O2S/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)28(27)21(16)17/h1-14H,(H,24,26)
InChIKeyVGHPNKOYGJFNLC-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.27
Rot. Bonds3

About 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide

5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide (PubChem CID 46230617) has the molecular formula C22H15N3O2S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
PubChem CID46230617
Molecular FormulaC22H15N3O2S
Molecular Weight385.45 g/mol
Exact Mass385.09
IUPAC Name5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)c1ccccc1-2
InChIInChI=1S/C22H15N3O2S/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)28(27)21(16)17/h1-14H,(H,24,26)
InChIKeyVGHPNKOYGJFNLC-UHFFFAOYSA-N
XLogP4.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(1H-pyrazol-1-yl)phenyl)-9-oxo-9H-fluorene-1-carboxamide
CID 11696276
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 1245434
5,5-dioxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 46230666
N-(2-pyrazol-1-ylphenyl)-9H-fluorene-1-carboxamide
CID 11537619
N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide
CID 11710429
N-[3-(1H-pyrazol-1-ylmethyl)phenyl]-1-benzothiophene-3-carboxamide
CID 1245129
2-methylsulfanyl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 24231965
4-fluoro-N-(4-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 31907493
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-propan-2-ylsulfonylbenzamide
CID 40031564
4-fluoro-N-(2-pyrazol-1-ylphenyl)-1-benzothiophene-2-carboxamide
CID 47028572
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
3-(benzenesulfonylmethyl)-N-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]benzamide
CID 55775264

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The IUPAC name of 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide (CID 46230617) is 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The canonical SMILES for 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)c1ccccc1-2.
What is the InChIKey of 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
The InChIKey is VGHPNKOYGJFNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O2S/c26-22(24-18-10-2-3-11-19(18)25-14-6-13-23-25)17-9-5-8-16-15-7-1-4-12-20(15)28(27)21(16)17/h1-14H,(H,24,26).
What are the key properties of 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide?
5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide has a molecular weight of 385.45 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-pyrazol-1-ylphenyl)dibenzothiophene-4-carboxamide is sourced from PubChem (CID 46230617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).