N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide

C16H18N2O5S — CID 1248224

IUPACN-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(=S)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-20-12-7-10(8-13(21-2)14(12)22-3)15(19)18-16(24)17-9-11-5-4-6-23-11/h4-8H,9H2,1-3H3,(H2,17,18,19,24)
InChIKeyGVEHFRJJZJPJEI-UHFFFAOYSA-N
MW350.40 g/mol
LogP2.11
Rot. Bonds6

About N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide

N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide (PubChem CID 1248224) has the molecular formula C16H18N2O5S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
PubChem CID1248224
Molecular FormulaC16H18N2O5S
Molecular Weight350.40 g/mol
Exact Mass350.09
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(=S)NCc2ccco2)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5S/c1-20-12-7-10(8-13(21-2)14(12)22-3)15(19)18-16(24)17-9-11-5-4-6-23-11/h4-8H,9H2,1-3H3,(H2,17,18,19,24)
InChIKeyGVEHFRJJZJPJEI-UHFFFAOYSA-N
XLogP2.11
TPSA81.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide 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-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 17171037
2,3,5,6-tetrafluoro-N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
CID 17100625
N-[4-(furan-2-ylmethylcarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 28638324
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 35842164
N-(furan-2-ylmethyl)-2,4,5-trimethoxybenzamide
CID 1089288
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-(furan-2-ylmethyl)-4-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-1-carbothioamide
CID 23853960
N-[(2-chloro-4,5-dimethoxyphenyl)methylcarbamothioyl]-3,4,5-trimethoxybenzamide
CID 54785802
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,4,5-trimethoxybenzamide
CID 8961027
N-(furan-2-ylmethylcarbamothioyl)-4-heptoxybenzamide
CID 4950958
N-(furan-2-ylmethylcarbamothioyl)-4-hexoxybenzamide
CID 4934073
3-chloro-N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4,5-dimethoxybenzamide
CID 55876373

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide (CID 1248224) is N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(=S)NCc2ccco2)cc(OC)c1OC.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide?
The InChIKey is GVEHFRJJZJPJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S/c1-20-12-7-10(8-13(21-2)14(12)22-3)15(19)18-16(24)17-9-11-5-4-6-23-11/h4-8H,9H2,1-3H3,(H2,17,18,19,24).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide?
N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide has a molecular weight of 350.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylcarbamothioyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1248224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).