N-(2-phenylethylcarbamothioyl)furan-2-carboxamide

C14H14N2O2S — CID 802883

IUPACN-(2-phenylethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C14H14N2O2S/c17-13(12-7-4-10-18-12)16-14(19)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,15,16,17,19)
InChIKeyVFZZTTWXHNDYHT-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.13
Rot. Bonds4

About N-(2-phenylethylcarbamothioyl)furan-2-carboxamide

N-(2-phenylethylcarbamothioyl)furan-2-carboxamide (PubChem CID 802883) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(2-phenylethylcarbamothioyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethylcarbamothioyl)furan-2-carboxamide
PubChem CID802883
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC NameN-(2-phenylethylcarbamothioyl)furan-2-carboxamide
SMILESO=C(NC(=S)NCCc1ccccc1)c1ccco1
InChIInChI=1S/C14H14N2O2S/c17-13(12-7-4-10-18-12)16-14(19)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,15,16,17,19)
InChIKeyVFZZTTWXHNDYHT-UHFFFAOYSA-N
XLogP2.13
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.13
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-(2-phenylethylcarbamothioyl)furan-2-carboxamide?
The IUPAC name of N-(2-phenylethylcarbamothioyl)furan-2-carboxamide (CID 802883) is N-(2-phenylethylcarbamothioyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-phenylethylcarbamothioyl)furan-2-carboxamide?
The canonical SMILES for N-(2-phenylethylcarbamothioyl)furan-2-carboxamide is O=C(NC(=S)NCCc1ccccc1)c1ccco1.
What is the InChIKey of N-(2-phenylethylcarbamothioyl)furan-2-carboxamide?
The InChIKey is VFZZTTWXHNDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c17-13(12-7-4-10-18-12)16-14(19)15-9-8-11-5-2-1-3-6-11/h1-7,10H,8-9H2,(H2,15,16,17,19).
What are the key properties of N-(2-phenylethylcarbamothioyl)furan-2-carboxamide?
N-(2-phenylethylcarbamothioyl)furan-2-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethylcarbamothioyl)furan-2-carboxamide is sourced from PubChem (CID 802883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).