2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide

C14H10F4N2O3S — CID 17100625

IUPAC2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)NC(=S)NCc2ccco2)c(F)c1F
InChIInChI=1S/C14H10F4N2O3S/c1-22-12-10(17)8(15)7(9(16)11(12)18)13(21)20-14(24)19-5-6-3-2-4-23-6/h2-4H,5H2,1H3,(H2,19,20,21,24)
InChIKeyVCECZNOCHWMLRF-UHFFFAOYSA-N
MW362.30 g/mol
LogP2.65
Rot. Bonds4

About 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide

2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide (PubChem CID 17100625) has the molecular formula C14H10F4N2O3S and a molecular weight of 362.30 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
PubChem CID17100625
Molecular FormulaC14H10F4N2O3S
Molecular Weight362.30 g/mol
Exact Mass362.03
IUPAC Name2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1c(F)c(F)c(C(=O)NC(=S)NCc2ccco2)c(F)c1F
InChIInChI=1S/C14H10F4N2O3S/c1-22-12-10(17)8(15)7(9(16)11(12)18)13(21)20-14(24)19-5-6-3-2-4-23-6/h2-4H,5H2,1H3,(H2,19,20,21,24)
InChIKeyVCECZNOCHWMLRF-UHFFFAOYSA-N
XLogP2.65
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
CID 1248224
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-(furan-2-ylmethylcarbamothioyl)-2,2-dimethylpropanamide
CID 17100622
2,3,5,6-tetrafluoro-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 18191791
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethylcarbamothioyl)cyclopropanecarboxamide
CID 1243044
N-(furan-2-ylmethylcarbamothioyl)-4-heptoxybenzamide
CID 4950958
N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide
CID 4934073
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
5-bromo-N-(furan-2-ylmethylcarbamothioyl)-2-propan-2-yloxybenzamide
CID 17052012
3-chloro-N-(furan-2-ylmethylcarbamothioyl)-1-benzothiophene-2-carboxamide
CID 1243571

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide (CID 17100625) is 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide is COc1c(F)c(F)c(C(=O)NC(=S)NCc2ccco2)c(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is VCECZNOCHWMLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2O3S/c1-22-12-10(17)8(15)7(9(16)11(12)18)13(21)20-14(24)19-5-6-3-2-4-23-6/h2-4H,5H2,1H3,(H2,19,20,21,24).
What are the key properties of 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 362.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide is sourced from PubChem (CID 17100625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).