5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide

C19H16FNO5S — CID 39995738

IUPAC5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H16FNO5S/c1-27(23,24)17-4-2-3-14(11-17)21-19(22)18-10-9-16(26-18)12-25-15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMCEJMOFXUAMAJT-UHFFFAOYSA-N
MW389.40 g/mol
LogP3.65
Rot. Bonds6

About 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide

5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide (PubChem CID 39995738) has the molecular formula C19H16FNO5S and a molecular weight of 389.40 g/mol. Its IUPAC name is 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
PubChem CID39995738
Molecular FormulaC19H16FNO5S
Molecular Weight389.40 g/mol
Exact Mass389.07
IUPAC Name5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1
InChIInChI=1S/C19H16FNO5S/c1-27(23,24)17-4-2-3-14(11-17)21-19(22)18-10-9-16(26-18)12-25-15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,21,22)
InChIKeyMCEJMOFXUAMAJT-UHFFFAOYSA-N
XLogP3.65
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(phenoxymethyl)-N-(3-sulfamoylphenyl)furan-2-carboxamide
CID 9413056
5-[(4-fluorophenoxy)methyl]-N-(4-methoxyphenyl)furan-2-carboxamide
CID 27228908
N-(3,4-diethoxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 43009388
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
5-[(4-fluorophenoxy)methyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 19413095
N-(3-methylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 7464174
N-[4-fluoro-3-(methanesulfonamido)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 43050364
N-[4-(dimethylamino)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 78776389
5-[(4-fluorophenoxy)methyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]furan-2-carboxamide
CID 46666068
N-(3-acetylphenyl)-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 53054149
5-[(4-methylsulfonylphenoxy)methyl]furan-2-carbohydrazide
CID 63568571
N-(4-fluoro-3-nitrophenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 36705158

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide (CID 39995738) is 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1.
What is the InChIKey of 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is MCEJMOFXUAMAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO5S/c1-27(23,24)17-4-2-3-14(11-17)21-19(22)18-10-9-16(26-18)12-25-15-7-5-13(20)6-8-15/h2-11H,12H2,1H3,(H,21,22).
What are the key properties of 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide?
5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 389.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenoxy)methyl]-N-(3-methylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 39995738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).