N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide

C23H20FN3O5S — CID 42276741

IUPACN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C23H20FN3O5S/c1-14-18(10-11-31-14)22(28)25-13-21-15(2)32-23(26-21)19-8-3-4-9-20(19)27-33(29,30)17-7-5-6-16(24)12-17/h3-12,27H,13H2,1-2H3,(H,25,28)
InChIKeyYFKMEYZQJQAZAM-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.42
Rot. Bonds7

About N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 42276741) has the molecular formula C23H20FN3O5S and a molecular weight of 469.49 g/mol. Its IUPAC name is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
PubChem CID42276741
Molecular FormulaC23H20FN3O5S
Molecular Weight469.49 g/mol
Exact Mass469.11
IUPAC NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C
InChIInChI=1S/C23H20FN3O5S/c1-14-18(10-11-31-14)22(28)25-13-21-15(2)32-23(26-21)19-8-3-4-9-20(19)27-33(29,30)17-7-5-6-16(24)12-17/h3-12,27H,13H2,1-2H3,(H,25,28)
InChIKeyYFKMEYZQJQAZAM-UHFFFAOYSA-N
XLogP4.42
TPSA114.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
CID 42170789
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylsulfanylacetamide
CID 118754747
(2R)-N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methylpiperidine-2-carboxamide
CID 42165505
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]furan-2-carboxamide
CID 42212950
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-thiophen-3-ylacetamide
CID 118756637
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-(2-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
N-[[2-[2-(benzylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 42165488

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide (CID 42276741) is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(F)c2)oc1C.
What is the InChIKey of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is YFKMEYZQJQAZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O5S/c1-14-18(10-11-31-14)22(28)25-13-21-15(2)32-23(26-21)19-8-3-4-9-20(19)27-33(29,30)17-7-5-6-16(24)12-17/h3-12,27H,13H2,1-2H3,(H,25,28).
What are the key properties of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide?
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 469.49 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 42276741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).