5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide

C20H24FNO4S — CID 3238620

IUPAC5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1
InChIInChI=1S/C20H24FNO4S/c1-14-6-8-16(9-7-14)22-20(23)19-11-10-17(26-19)13-27(24,25)12-15-4-2-3-5-18(15)21/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,22,23)
InChIKeyFQIUACSPVXEFSL-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.84
Rot. Bonds6

About 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide

5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide (PubChem CID 3238620) has the molecular formula C20H24FNO4S and a molecular weight of 393.48 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide
PubChem CID3238620
Molecular FormulaC20H24FNO4S
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide
SMILESCC1CCC(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1
InChIInChI=1S/C20H24FNO4S/c1-14-6-8-16(9-7-14)22-20(23)19-11-10-17(26-19)13-27(24,25)12-15-4-2-3-5-18(15)21/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,22,23)
InChIKeyFQIUACSPVXEFSL-UHFFFAOYSA-N
XLogP3.84
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide (CID 3238620) is 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide is CC1CCC(NC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide?
The InChIKey is FQIUACSPVXEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO4S/c1-14-6-8-16(9-7-14)22-20(23)19-11-10-17(26-19)13-27(24,25)12-15-4-2-3-5-18(15)21/h2-5,10-11,14,16H,6-9,12-13H2,1H3,(H,22,23).
What are the key properties of 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide?
5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylsulfonylmethyl]-N-(4-methylcyclohexyl)furan-2-carboxamide is sourced from PubChem (CID 3238620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).