4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

C22H24FN3O4S — CID 86963597

IUPAC4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)ccc1F
InChIInChI=1S/C22H24FN3O4S/c1-13(2)19-12-24-22(30-19)15-5-8-17(9-6-15)25-21(27)16-7-10-18(23)20(11-16)31(28,29)26-14(3)4/h5-14,26H,1-4H3,(H,25,27)
InChIKeyNCYYVIAXRMREAS-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.54
Rot. Bonds7

About 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide

4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 86963597) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID86963597
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)ccc1F
InChIInChI=1S/C22H24FN3O4S/c1-13(2)19-12-24-22(30-19)15-5-8-17(9-6-15)25-21(27)16-7-10-18(23)20(11-16)31(28,29)26-14(3)4/h5-14,26H,1-4H3,(H,25,27)
InChIKeyNCYYVIAXRMREAS-UHFFFAOYSA-N
XLogP4.54
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide with MolForge

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Related Compounds

1-(3-fluorophenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 86963542
N-(3,4-difluorophenyl)-2,6-difluoro-3-(propan-2-ylsulfamoyl)benzamide
CID 90075291
1-(1-hydroxypropan-2-yl)-3-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]urea
CID 111463122
4-fluoro-N-[4-(1,3,4-oxadiazol-2-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55961764
4-chloro-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 4924513
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
4-methoxy-N-(4-methylsulfonylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 16594690
(2S)-2-[[4-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59483373
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680
4-fluoro-3-[[1-(methylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 61067117
3-[[(1R)-1-cyclopentylethyl]sulfamoyl]-4-fluorobenzoic acid
CID 81389280
7-methoxy-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 86963547

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 86963597) is 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3ncc(C(C)C)o3)cc2)ccc1F.
What is the InChIKey of 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is NCYYVIAXRMREAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-13(2)19-12-24-22(30-19)15-5-8-17(9-6-15)25-21(27)16-7-10-18(23)20(11-16)31(28,29)26-14(3)4/h5-14,26H,1-4H3,(H,25,27).
What are the key properties of 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide?
4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 86963597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).