5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide

C23H22FNO4S — CID 86956906

IUPAC5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C23H22FNO4S/c24-20-7-2-1-6-19(20)21-8-9-22(29-21)23(26)25-17-5-3-4-16(14-17)15-30(27)18-10-12-28-13-11-18/h1-9,14,18H,10-13,15H2,(H,25,26)
InChIKeyYGROILBHIXDVFP-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.77
Rot. Bonds6

About 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide

5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide (PubChem CID 86956906) has the molecular formula C23H22FNO4S and a molecular weight of 427.50 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
PubChem CID86956906
Molecular FormulaC23H22FNO4S
Molecular Weight427.50 g/mol
Exact Mass427.13
IUPAC Name5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C23H22FNO4S/c24-20-7-2-1-6-19(20)21-8-9-22(29-21)23(26)25-17-5-3-4-16(14-17)15-30(27)18-10-12-28-13-11-18/h1-9,14,18H,10-13,15H2,(H,25,26)
InChIKeyYGROILBHIXDVFP-UHFFFAOYSA-N
XLogP4.77
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-fluoro-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 86956894
1-benzyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]triazole-4-carboxamide
CID 86956725
2-naphthalen-2-yl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]acetamide
CID 86956969
N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86956720
3-[4-(difluoromethoxy)phenyl]-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956755
5-fluoro-3-methyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-1-benzothiophene-2-carboxamide
CID 86956771
N-(3,4-dimethylphenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 3872686
4-(4-ethylphenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]-4-oxobutanamide
CID 86958714
N-(4-acetamidophenyl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 1251716
1,3-dimethyl-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86956967
4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]benzamide
CID 146148796
3-(5-chlorothiophen-2-yl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]propanamide
CID 86956783

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide (CID 86956906) is 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(CS(=O)C2CCOCC2)c1)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide?
The InChIKey is YGROILBHIXDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FNO4S/c24-20-7-2-1-6-19(20)21-8-9-22(29-21)23(26)25-17-5-3-4-16(14-17)15-30(27)18-10-12-28-13-11-18/h1-9,14,18H,10-13,15H2,(H,25,26).
What are the key properties of 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide?
5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[3-(oxan-4-ylsulfinylmethyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 86956906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).