N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide

C15H16N2O2S — CID 1253159

IUPACN-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)NCc1ccco1
InChIInChI=1S/C15H16N2O2S/c18-14(9-8-12-5-2-1-3-6-12)17-15(20)16-11-13-7-4-10-19-13/h1-7,10H,8-9,11H2,(H2,16,17,18,20)
InChIKeyYXMZBLIJVMMHIC-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.40
Rot. Bonds5

About N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide

N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide (PubChem CID 1253159) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
PubChem CID1253159
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC(=S)NCc1ccco1
InChIInChI=1S/C15H16N2O2S/c18-14(9-8-12-5-2-1-3-6-12)17-15(20)16-11-13-7-4-10-19-13/h1-7,10H,8-9,11H2,(H2,16,17,18,20)
InChIKeyYXMZBLIJVMMHIC-UHFFFAOYSA-N
XLogP2.40
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide (CID 1253159) is N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide is O=C(CCc1ccccc1)NC(=S)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide?
The InChIKey is YXMZBLIJVMMHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S/c18-14(9-8-12-5-2-1-3-6-12)17-15(20)16-11-13-7-4-10-19-13/h1-7,10H,8-9,11H2,(H2,16,17,18,20).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide?
N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide has a molecular weight of 288.37 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide is sourced from PubChem (CID 1253159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).