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

C14H14N2O3S — CID 732440

IUPACN-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H2,15,16,17,20)
InChIKeyWASGZSAWDDPMFX-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.09
Rot. Bonds4

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

N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide (PubChem CID 732440) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
PubChem CID732440
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1
InChIInChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H2,15,16,17,20)
InChIKeyWASGZSAWDDPMFX-UHFFFAOYSA-N
XLogP2.09
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-furfuryl-2-thiourea
CID 4604028
N-(2-Furylmethyl)benzamide
CID 236716
N-(2-Furanylmethyl)-4-methylbenzamide
CID 674887
4-methoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 833404
N-(4-ethoxybenzyl)furan-2-carboxamide
CID 861821
N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
CID 1253159
N-[(diallylamino)carbonothioyl]-4-methoxybenzamide
CID 1791946
N-[(4-chlorophenyl)methylcarbamothioyl]furan-2-carboxamide
CID 2374475
1-(2-Chlorobenzyl)-3-(furan-2-ylmethyl)thiourea
CID 3733457
1-(4-Chlorobenzyl)-3-(furan-2-ylmethyl)thiourea
CID 5004557
N-{2-[(4-isopropoxybenzoyl)amino]ethyl}-2-furamide
CID 6490907
N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 903828

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The IUPAC name of N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide (CID 732440) is N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide.
What is the SMILES notation for N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The canonical SMILES for N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide is COc1ccc(C(=O)NC(=S)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
The InChIKey is WASGZSAWDDPMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-18-11-6-4-10(5-7-11)13(17)16-14(20)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H2,15,16,17,20).
What are the key properties of N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide?
N-(furan-2-ylmethylcarbamothioyl)-4-methoxybenzamide has a molecular weight of 290.34 g/mol, XLogP of 2.09, 4 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-methoxybenzamide is sourced from PubChem (CID 732440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).