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

C26H24FN3O4S — CID 42170789

IUPACN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3NS(=O)(=O)c3cccc(F)c3)oc2C)c1C
InChIInChI=1S/C26H24FN3O4S/c1-16-8-6-12-21(17(16)2)25(31)28-15-24-18(3)34-26(29-24)22-11-4-5-13-23(22)30-35(32,33)20-10-7-9-19(27)14-20/h4-14,30H,15H2,1-3H3,(H,28,31)
InChIKeyFPIVFDXYAUJDQL-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.14
Rot. Bonds7

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

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide (PubChem CID 42170789) has the molecular formula C26H24FN3O4S and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
PubChem CID42170789
Molecular FormulaC26H24FN3O4S
Molecular Weight493.56 g/mol
Exact Mass493.15
IUPAC NameN-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NCc2nc(-c3ccccc3NS(=O)(=O)c3cccc(F)c3)oc2C)c1C
InChIInChI=1S/C26H24FN3O4S/c1-16-8-6-12-21(17(16)2)25(31)28-15-24-18(3)34-26(29-24)22-11-4-5-13-23(22)30-35(32,33)20-10-7-9-19(27)14-20/h4-14,30H,15H2,1-3H3,(H,28,31)
InChIKeyFPIVFDXYAUJDQL-UHFFFAOYSA-N
XLogP5.14
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2-methylfuran-3-carboxamide
CID 42276741
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-acetylphenyl)-3-fluorobenzenesulfonamide
CID 2526444
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]pyridine-3-carboxamide
CID 42407871
N-[[2-[2-(dimethylsulfamoylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]thiophene-2-carboxamide
CID 26353453
N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-5-(4-methoxyphenyl)furan-2-carboxamide
CID 42431882
2-(1,3-benzodioxol-5-yl)-N-[[2-[2-(ethylsulfonylamino)phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]acetamide
CID 42170727
3-[(3-fluorophenyl)sulfonylamino]naphthalene-2-carboxylic acid
CID 16778029
N-[2-[5-methyl-4-[[(3-methylbenzoyl)amino]methyl]-1,3-oxazol-2-yl]phenyl]oxolane-2-carboxamide
CID 45165679
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
CID 20955573

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide?
The IUPAC name of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide (CID 42170789) is N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide.
What is the SMILES notation for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide?
The canonical SMILES for N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide is Cc1cccc(C(=O)NCc2nc(-c3ccccc3NS(=O)(=O)c3cccc(F)c3)oc2C)c1C.
What is the InChIKey of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide?
The InChIKey is FPIVFDXYAUJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O4S/c1-16-8-6-12-21(17(16)2)25(31)28-15-24-18(3)34-26(29-24)22-11-4-5-13-23(22)30-35(32,33)20-10-7-9-19(27)14-20/h4-14,30H,15H2,1-3H3,(H,28,31).
What are the key properties of N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide?
N-[[2-[2-[(3-fluorophenyl)sulfonylamino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,3-dimethylbenzamide has a molecular weight of 493.56 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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]-2,3-dimethylbenzamide is sourced from PubChem (CID 42170789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).