5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide

C22H20FN3O3S — CID 1006432

IUPAC5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20FN3O3S/c23-16-6-2-1-5-15(16)19-9-10-20(29-19)21(27)25-22(30)24-17-7-3-4-8-18(17)26-11-13-28-14-12-26/h1-10H,11-14H2,(H2,24,25,27,30)
InChIKeyILFKNZFUTFYZMG-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.05
Rot. Bonds4

About 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide (PubChem CID 1006432) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide
PubChem CID1006432
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide
SMILESO=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C22H20FN3O3S/c23-16-6-2-1-5-15(16)19-9-10-20(29-19)21(27)25-22(30)24-17-7-3-4-8-18(17)26-11-13-28-14-12-26/h1-10H,11-14H2,(H2,24,25,27,30)
InChIKeyILFKNZFUTFYZMG-UHFFFAOYSA-N
XLogP4.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide (CID 1006432) is 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide is O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide?
The InChIKey is ILFKNZFUTFYZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c23-16-6-2-1-5-15(16)19-9-10-20(29-19)21(27)25-22(30)24-17-7-3-4-8-18(17)26-11-13-28-14-12-26/h1-10H,11-14H2,(H2,24,25,27,30).
What are the key properties of 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[(2-morpholin-4-ylphenyl)carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 1006432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).