N-[(furan-2-carbonylamino)carbamothioyl]benzamide

C13H11N3O3S — CID 2729195

IUPACN-[(furan-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C13H11N3O3S/c17-11(9-5-2-1-3-6-9)14-13(20)16-15-12(18)10-7-4-8-19-10/h1-8H,(H,15,18)(H2,14,16,17,20)
InChIKeyWRIIRYNJKLBQJP-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.23
Rot. Bonds2

About N-[(furan-2-carbonylamino)carbamothioyl]benzamide

N-[(furan-2-carbonylamino)carbamothioyl]benzamide (PubChem CID 2729195) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(furan-2-carbonylamino)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(furan-2-carbonylamino)carbamothioyl]benzamide
PubChem CID2729195
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC NameN-[(furan-2-carbonylamino)carbamothioyl]benzamide
SMILESO=C(NC(=S)NNC(=O)c1ccco1)c1ccccc1
InChIInChI=1S/C13H11N3O3S/c17-11(9-5-2-1-3-6-9)14-13(20)16-15-12(18)10-7-4-8-19-10/h1-8H,(H,15,18)(H2,14,16,17,20)
InChIKeyWRIIRYNJKLBQJP-UHFFFAOYSA-N
XLogP1.23
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(furan-2-carbonylamino)carbamothioyl]benzamide?
The IUPAC name of N-[(furan-2-carbonylamino)carbamothioyl]benzamide (CID 2729195) is N-[(furan-2-carbonylamino)carbamothioyl]benzamide.
What is the SMILES notation for N-[(furan-2-carbonylamino)carbamothioyl]benzamide?
The canonical SMILES for N-[(furan-2-carbonylamino)carbamothioyl]benzamide is O=C(NC(=S)NNC(=O)c1ccco1)c1ccccc1.
What is the InChIKey of N-[(furan-2-carbonylamino)carbamothioyl]benzamide?
The InChIKey is WRIIRYNJKLBQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c17-11(9-5-2-1-3-6-9)14-13(20)16-15-12(18)10-7-4-8-19-10/h1-8H,(H,15,18)(H2,14,16,17,20).
What are the key properties of N-[(furan-2-carbonylamino)carbamothioyl]benzamide?
N-[(furan-2-carbonylamino)carbamothioyl]benzamide has a molecular weight of 289.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(furan-2-carbonylamino)carbamothioyl]benzamide is sourced from PubChem (CID 2729195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).