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

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Related Compounds

5-[(2-chlorophenyl)methylsulfanylmethyl]-N-cyclopropylfuran-2-carboxamide
CID 4651694
Furan-2-carboxamide deriv., 16
CID 44236902
N-benzyl-5-[(phenylthio)methyl]-2-furamide
CID 2146639
N-(sec-butyl)-5-{[(2-chlorobenzyl)thio]methyl}-2-furamide
CID 3553402
N-butyl-5-{[(2-fluorobenzyl)sulfonyl]methyl}-2-furamide
CID 3583186
N-cyclopentyl-5-{[(3-methylbenzyl)thio]methyl}-2-furamide
CID 3603967
N-(sec-butyl)-5-{[(4-chlorobenzyl)thio]methyl}-2-furamide
CID 3616502
5-{[(4-methylbenzyl)thio]methyl}-N-(3-methylbutyl)-2-furamide
CID 4207388
N-cyclopropyl-5-[(4-methylphenyl)methylsulfanylmethyl]furan-2-carboxamide
CID 4207389
5-{[(2-chlorobenzyl)thio]methyl}-N-isopropyl-2-furamide
CID 4533619
N-cyclohexyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 7594453
N-butyl-5-{[(4-methylphenyl)sulfonyl]methyl}-2-furamide
CID 20859591

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).