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

C16H13N3O4S — CID 4139161

IUPACN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccco1
InChIInChI=1S/C16H13N3O4S/c20-16(14-7-4-8-23-14)17-15-12-9-24(21,22)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyPMCAXFXEDHWMKT-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.15
Rot. Bonds3

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

N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (PubChem CID 4139161) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
PubChem CID4139161
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccco1
InChIInChI=1S/C16H13N3O4S/c20-16(14-7-4-8-23-14)17-15-12-9-24(21,22)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20)
InChIKeyPMCAXFXEDHWMKT-UHFFFAOYSA-N
XLogP2.15
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

CID 16187837
CID 16187837
CID 756305
CID 756305
CID 2160268
CID 2160268
CID 2160297
CID 2160297
CID 2160447
CID 2160447
CID 2473696
CID 2473696
CID 3235687
CID 3235687
CID 3241356
CID 3241356
CID 3243135
CID 3243135
CID 3445354
CID 3445354
CID 3531264
CID 3531264
CID 4056438
CID 4056438

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide (CID 4139161) is N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide is O=C(Nc1c2c(nn1-c1ccccc1)CS(=O)(=O)C2)c1ccco1.
What is the InChIKey of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
The InChIKey is PMCAXFXEDHWMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-16(14-7-4-8-23-14)17-15-12-9-24(21,22)10-13(12)18-19(15)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,20).
What are the key properties of N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide?
N-(5,5-dioxo-2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)furan-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.15, 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)furan-2-carboxamide is sourced from PubChem (CID 4139161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).