N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide

C16H18FNO2S — CID 17396497

IUPACN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCSCc2ccccc2F)c(C)o1
InChIInChI=1S/C16H18FNO2S/c1-11-9-14(12(2)20-11)16(19)18-7-8-21-10-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOETRUJJSJOVENF-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.70
Rot. Bonds6

About N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 17396497) has the molecular formula C16H18FNO2S and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID17396497
Molecular FormulaC16H18FNO2S
Molecular Weight307.39 g/mol
Exact Mass307.10
IUPAC NameN-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCSCc2ccccc2F)c(C)o1
InChIInChI=1S/C16H18FNO2S/c1-11-9-14(12(2)20-11)16(19)18-7-8-21-10-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyOETRUJJSJOVENF-UHFFFAOYSA-N
XLogP3.70
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-hydroxy-4-methoxybenzamide
CID 27865734
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-oxochromene-3-carboxamide
CID 8743684
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethoxybenzamide
CID 51196870
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-(methylsulfamoyl)benzamide
CID 24644388
2,5-dimethyl-N-[2-[(3-nitrophenyl)methylsulfanyl]ethyl]furan-3-carboxamide
CID 141483910
(2R)-2-amino-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]propanamide
CID 119271967
2,4-difluoro-N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]benzamide
CID 46690552
N-[3-[(2-fluorophenyl)methylsulfanyl]propyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 77095977
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-5-nitrofuran-2-carboxamide
CID 51196836
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-4-propan-2-yloxybenzamide
CID 92541687
N-[2-[2-[(2-fluorophenyl)methylsulfanyl]ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 46653254
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-1-methylurea
CID 55769039

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide (CID 17396497) is N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCSCc2ccccc2F)c(C)o1.
What is the InChIKey of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is OETRUJJSJOVENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2S/c1-11-9-14(12(2)20-11)16(19)18-7-8-21-10-13-5-3-4-6-15(13)17/h3-6,9H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 17396497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).