5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide

C8H9F2NO3S — CID 60735591

IUPAC5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
SMILESCONC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C8H9F2NO3S/c1-13-11-7(12)6-3-2-5(14-6)4-15-8(9)10/h2-3,8H,4H2,1H3,(H,11,12)
InChIKeyHPPRLUIAFQHHAB-UHFFFAOYSA-N
MW237.23 g/mol
LogP2.03
Rot. Bonds5

About 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide

5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide (PubChem CID 60735591) has the molecular formula C8H9F2NO3S and a molecular weight of 237.23 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
PubChem CID60735591
Molecular FormulaC8H9F2NO3S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
SMILESCONC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C8H9F2NO3S/c1-13-11-7(12)6-3-2-5(14-6)4-15-8(9)10/h2-3,8H,4H2,1H3,(H,11,12)
InChIKeyHPPRLUIAFQHHAB-UHFFFAOYSA-N
XLogP2.03
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide 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

5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
CID 43244787
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 78928214
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
methyl 4-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]-methylamino]butanoate
CID 60734442
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
5-(difluoromethylsulfanylmethyl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 115592978
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide (CID 60735591) is 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide is CONC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide?
The InChIKey is HPPRLUIAFQHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO3S/c1-13-11-7(12)6-3-2-5(14-6)4-15-8(9)10/h2-3,8H,4H2,1H3,(H,11,12).
What are the key properties of 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide?
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide is sourced from PubChem (CID 60735591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).