N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide

C20H17FN2O5S — CID 86944356

IUPACN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1
InChIInChI=1S/C20H17FN2O5S/c1-29(26,27)18-11-10-17(28-18)20(25)23-15-8-6-13(7-9-15)19(24)22-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyCBEHCJUZGYRMOT-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide

N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide (PubChem CID 86944356) has the molecular formula C20H17FN2O5S and a molecular weight of 416.43 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
PubChem CID86944356
Molecular FormulaC20H17FN2O5S
Molecular Weight416.43 g/mol
Exact Mass416.08
IUPAC NameN-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1
InChIInChI=1S/C20H17FN2O5S/c1-29(26,27)18-11-10-17(28-18)20(25)23-15-8-6-13(7-9-15)19(24)22-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25)
InChIKeyCBEHCJUZGYRMOT-UHFFFAOYSA-N
XLogP3.00
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-(4-acetamidophenyl)-5-methylsulfonylfuran-2-carboxamide
CID 155412686
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 46327515
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 120786959
N-[(2-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26887031
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87025581
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[(2-fluorophenyl)methyl]benzamide
CID 53287059
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide (CID 86944356) is N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)o1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide?
The InChIKey is CBEHCJUZGYRMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5S/c1-29(26,27)18-11-10-17(28-18)20(25)23-15-8-6-13(7-9-15)19(24)22-12-14-4-2-3-5-16(14)21/h2-11H,12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide?
N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-5-methylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 86944356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).