[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate

C23H20F2N2O6S — CID 55417394

IUPAC[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O6S/c1-15(21(28)26-19-9-5-6-10-20(19)33-23(24)25)32-22(29)16-11-13-18(14-12-16)34(30,31)27-17-7-3-2-4-8-17/h2-15,23,27H,1H3,(H,26,28)
InChIKeyRLNXICHGGJLAEK-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.27
Rot. Bonds9

About [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate (PubChem CID 55417394) has the molecular formula C23H20F2N2O6S and a molecular weight of 490.48 g/mol. Its IUPAC name is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
PubChem CID55417394
Molecular FormulaC23H20F2N2O6S
Molecular Weight490.48 g/mol
Exact Mass490.10
IUPAC Name[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C23H20F2N2O6S/c1-15(21(28)26-19-9-5-6-10-20(19)33-23(24)25)32-22(29)16-11-13-18(14-12-16)34(30,31)27-17-7-3-2-4-8-17/h2-15,23,27H,1H3,(H,26,28)
InChIKeyRLNXICHGGJLAEK-UHFFFAOYSA-N
XLogP4.27
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate with MolForge

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Related Compounds

[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate
CID 46630049
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987263
N-[2-(difluoromethoxy)phenyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 37312010
[(2S)-1-amino-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7985225
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate
CID 7247776
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103
[1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46619844
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 4-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2373481
[1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 55417116
4-[(2R)-1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl]oxybenzamide
CID 8946649
N-[2-(difluoromethoxy)phenyl]-4-[(2-fluorophenyl)sulfamoyl]benzamide
CID 2353818
[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl] 4-fluorobenzoate
CID 24686418

Frequently Asked Questions

What is the IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The IUPAC name of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate (CID 55417394) is [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate.
What is the SMILES notation for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The canonical SMILES for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate is CC(OC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
The InChIKey is RLNXICHGGJLAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O6S/c1-15(21(28)26-19-9-5-6-10-20(19)33-23(24)25)32-22(29)16-11-13-18(14-12-16)34(30,31)27-17-7-3-2-4-8-17/h2-15,23,27H,1H3,(H,26,28).
What are the key properties of [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate?
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate has a molecular weight of 490.48 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 4-(phenylsulfamoyl)benzoate is sourced from PubChem (CID 55417394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).