N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

C20H18N4O2S — CID 7423881

IUPACN-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C20H18N4O2S/c25-19(21-11-14-7-3-1-4-8-14)20(26)22-18-16-12-27-13-17(16)23-24(18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,25)(H,22,26)
InChIKeyHWQGBGGLVMGZGN-UHFFFAOYSA-N
MW378.46 g/mol
LogP2.87
Rot. Bonds4

About N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide

N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (PubChem CID 7423881) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.

Molecular Properties

Compound NameN-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
PubChem CID7423881
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide
SMILESO=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2
InChIInChI=1S/C20H18N4O2S/c25-19(21-11-14-7-3-1-4-8-14)20(26)22-18-16-12-27-13-17(16)23-24(18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,25)(H,22,26)
InChIKeyHWQGBGGLVMGZGN-UHFFFAOYSA-N
XLogP2.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The IUPAC name of N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide (CID 7423881) is N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide.
What is the SMILES notation for N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The canonical SMILES for N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is O=C(NCc1ccccc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2.
What is the InChIKey of N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
The InChIKey is HWQGBGGLVMGZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c25-19(21-11-14-7-3-1-4-8-14)20(26)22-18-16-12-27-13-17(16)23-24(18)15-9-5-2-6-10-15/h1-10H,11-13H2,(H,21,25)(H,22,26).
What are the key properties of N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide?
N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide has a molecular weight of 378.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-(2-phenyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)oxamide is sourced from PubChem (CID 7423881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).