N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide

C19H24N2O3S — CID 4934073

IUPACN-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-3-4-5-12-23-16-10-8-15(9-11-16)18(22)21-19(25)20-14-17-7-6-13-24-17/h6-11,13H,2-5,12,14H2,1H3,(H2,20,21,22,25)
InChIKeyCXAHZSDLMCIRQA-UHFFFAOYSA-N
MW360.48 g/mol
LogP4.04
Rot. Bonds9

About N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide

N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide (PubChem CID 4934073) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide
PubChem CID4934073
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C19H24N2O3S/c1-2-3-4-5-12-23-16-10-8-15(9-11-16)18(22)21-19(25)20-14-17-7-6-13-24-17/h6-11,13H,2-5,12,14H2,1H3,(H2,20,21,22,25)
InChIKeyCXAHZSDLMCIRQA-UHFFFAOYSA-N
XLogP4.04
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethylcarbamothioyl)-4-heptoxybenzamide
CID 4950958
N-(furan-2-ylmethyl)-4-heptoxybenzamide
CID 3131904
N-(furan-2-ylmethyl)-4-[(4-propoxybenzoyl)carbamothioylamino]benzamide
CID 28638586
N-(benzylcarbamothioyl)-4-heptoxybenzamide
CID 4950896
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176
4-hexoxy-N-[(4-methoxyphenyl)methylcarbamothioyl]benzamide
CID 17230544
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
N-[[4-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-pentoxybenzamide
CID 28638591
4-heptoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911250
N-(furan-2-ylmethyl)-2-(4-heptoxyanilino)acetamide
CID 54821868
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide (CID 4934073) is N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide is CCCCCCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide?
The InChIKey is CXAHZSDLMCIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-2-3-4-5-12-23-16-10-8-15(9-11-16)18(22)21-19(25)20-14-17-7-6-13-24-17/h6-11,13H,2-5,12,14H2,1H3,(H2,20,21,22,25).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide?
N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide has a molecular weight of 360.48 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide is sourced from PubChem (CID 4934073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).