5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide

C20H17FN2O3S — CID 18871656

IUPAC5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1csc2c1CCCC2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O3S/c21-13-7-5-12(6-8-13)16-9-10-17(26-16)20(25)23-22-19(24)15-11-27-18-4-2-1-3-14(15)18/h5-11H,1-4H2,(H,22,24)(H,23,25)
InChIKeyVCRZJYAEVGFZHI-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.10
Rot. Bonds3

About 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide

5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide (PubChem CID 18871656) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide
PubChem CID18871656
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC Name5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1csc2c1CCCC2)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C20H17FN2O3S/c21-13-7-5-12(6-8-13)16-9-10-17(26-16)20(25)23-22-19(24)15-11-27-18-4-2-1-3-14(15)18/h5-11H,1-4H2,(H,22,24)(H,23,25)
InChIKeyVCRZJYAEVGFZHI-UHFFFAOYSA-N
XLogP4.10
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide 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 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide?
The IUPAC name of 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide (CID 18871656) is 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide is O=C(NNC(=O)c1csc2c1CCCC2)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide?
The InChIKey is VCRZJYAEVGFZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-13-7-5-12(6-8-13)16-9-10-17(26-16)20(25)23-22-19(24)15-11-27-18-4-2-1-3-14(15)18/h5-11H,1-4H2,(H,22,24)(H,23,25).
What are the key properties of 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide?
5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide has a molecular weight of 384.43 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N'-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)furan-2-carbohydrazide is sourced from PubChem (CID 18871656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).