N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide

C15H16N2O3S — CID 107468459

IUPACN-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2c(OC)cccc2C(N)=S)o1
InChIInChI=1S/C15H16N2O3S/c1-3-9-7-8-12(20-9)15(18)17-13-10(14(16)21)5-4-6-11(13)19-2/h4-8H,3H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyHXYORSWXIXYTOH-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.74
Rot. Bonds5

About N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide

N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide (PubChem CID 107468459) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
PubChem CID107468459
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC NameN-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2c(OC)cccc2C(N)=S)o1
InChIInChI=1S/C15H16N2O3S/c1-3-9-7-8-12(20-9)15(18)17-13-10(14(16)21)5-4-6-11(13)19-2/h4-8H,3H2,1-2H3,(H2,16,21)(H,17,18)
InChIKeyHXYORSWXIXYTOH-UHFFFAOYSA-N
XLogP2.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.74
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

N-(2-carbamothioyl-6-methoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 107468485
N-(2-carbamothioyl-6-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 107468519
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylbutanamide
CID 107468545
N-(4-amino-3-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79094156
N-(2-carbamothioyl-6-methoxyphenyl)-2-methylpentanamide
CID 107468418
N-(2-carbamothioyl-6-methoxyphenyl)-3-methylpentanamide
CID 107468443
N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
CID 79094126
1-(2-carbamothioyl-6-methoxyphenyl)-3-phenylurea
CID 107468600
N-(2-carbamothioyl-6-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107468539
N-(4-amino-2-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 79095434
5-ethyl-N-(4-fluoro-2-methoxyphenyl)furan-2-carboxamide
CID 47170065
N-(2-carbamothioyl-6-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 107468410

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide (CID 107468459) is N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2c(OC)cccc2C(N)=S)o1.
What is the InChIKey of N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide?
The InChIKey is HXYORSWXIXYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-9-7-8-12(20-9)15(18)17-13-10(14(16)21)5-4-6-11(13)19-2/h4-8H,3H2,1-2H3,(H2,16,21)(H,17,18).
What are the key properties of N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide?
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide has a molecular weight of 304.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 107468459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).