N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

C20H15N3O4S — CID 7484655

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1cc2ccccc2o1
InChIInChI=1S/C20H15N3O4S/c24-20(18-10-13-6-4-5-9-17(13)27-18)21-19-15-11-28(25,26)12-16(15)22-23(19)14-7-2-1-3-8-14/h1-10H,11-12H2,(H,21,24)
InChIKeyDKYGFWSRIKENGB-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.30
Rot. Bonds3

About N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 7484655) has the molecular formula C20H15N3O4S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID7484655
Molecular FormulaC20H15N3O4S
Molecular Weight393.42 g/mol
Exact Mass393.08
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1cc2ccccc2o1
InChIInChI=1S/C20H15N3O4S/c24-20(18-10-13-6-4-5-9-17(13)27-18)21-19-15-11-28(25,26)12-16(15)22-23(19)14-7-2-1-3-8-14/h1-10H,11-12H2,(H,21,24)
InChIKeyDKYGFWSRIKENGB-UHFFFAOYSA-N
XLogP3.30
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 7200105
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzofuran-2-carboxamide
CID 16187837
N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 756305
N-(5-oxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 2160447
5-bromo-N-[2-(3-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3235687
5-bromo-N-[2-(2-methylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]furan-2-carboxamide
CID 3241356
N-(2-(2,4-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 3445354
N-(2-(3,4-dimethylphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4073432
5-bromo-N-(2-(4-methoxyphenyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 4432904
N-(5,5-dioxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
CID 5202767
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzofuran-2-carboxamide
CID 7484803
N-[2-(2,3-dimethylphenyl)-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl]-2-furamide
CID 4244753

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 7484655) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1cc2ccccc2o1.
What is the InChIKey of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is DKYGFWSRIKENGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4S/c24-20(18-10-13-6-4-5-9-17(13)27-18)21-19-15-11-28(25,26)12-16(15)22-23(19)14-7-2-1-3-8-14/h1-10H,11-12H2,(H,21,24).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 393.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7484655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).