N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide

C14H13FN2O2S — CID 79094126

IUPACN-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(F)c2C(N)=S)o1
InChIInChI=1S/C14H13FN2O2S/c1-2-8-6-7-11(19-8)14(18)17-10-5-3-4-9(15)12(10)13(16)20/h3-7H,2H2,1H3,(H2,16,20)(H,17,18)
InChIKeyJFOWTIPZUXBSMO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.87
Rot. Bonds4

About N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide

N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide (PubChem CID 79094126) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
PubChem CID79094126
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC NameN-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2cccc(F)c2C(N)=S)o1
InChIInChI=1S/C14H13FN2O2S/c1-2-8-6-7-11(19-8)14(18)17-10-5-3-4-9(15)12(10)13(16)20/h3-7H,2H2,1H3,(H2,16,20)(H,17,18)
InChIKeyJFOWTIPZUXBSMO-UHFFFAOYSA-N
XLogP2.87
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-5-ethylfuran-2-carboxamide
CID 56784276
5-ethyl-N-(3-iodo-2-methylphenyl)furan-2-carboxamide
CID 113368757
N-(2-carbamothioyl-3-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343600
N-(2-carbamothioyl-3-fluorophenyl)-3-chloro-2-methylbenzamide
CID 107096806
N-(2-carbamothioyl-6-methoxyphenyl)-5-ethylfuran-2-carboxamide
CID 107468459
N-(2-carbamothioyl-3-fluorophenyl)-2-propylpentanamide
CID 82985432
N-(2-carbamothioyl-3-fluorophenyl)-3-methylbenzamide
CID 43580937
5-ethyl-N-(3-fluorophenyl)furan-2-carboxamide
CID 110697812
5-ethyl-N-quinolin-8-ylfuran-2-carboxamide
CID 110697813
N-(2-carbamothioyl-3-fluorophenyl)-2-(3-methylphenyl)acetamide
CID 62387868
N-(2-carbamothioyl-3-fluorophenyl)-5-fluoro-2-methylbenzamide
CID 63048603
N-(2-amino-5-methylphenyl)-5-ethylfuran-2-carboxamide
CID 112557315

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide?
The IUPAC name of N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide (CID 79094126) is N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide is CCc1ccc(C(=O)Nc2cccc(F)c2C(N)=S)o1.
What is the InChIKey of N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide?
The InChIKey is JFOWTIPZUXBSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-2-8-6-7-11(19-8)14(18)17-10-5-3-4-9(15)12(10)13(16)20/h3-7H,2H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide?
N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-3-fluorophenyl)-5-ethylfuran-2-carboxamide is sourced from PubChem (CID 79094126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).