[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

C23H27FN2O5S — CID 46611141

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H27FN2O5S/c1-16(22(27)25-21-11-7-6-10-20(21)24)31-23(28)17-12-14-19(15-13-17)32(29,30)26(2)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,25,27)
InChIKeyJNXYCIWOMBQPGX-UHFFFAOYSA-N
MW462.54 g/mol
LogP3.96
Rot. Bonds7

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (PubChem CID 46611141) has the molecular formula C23H27FN2O5S and a molecular weight of 462.54 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
PubChem CID46611141
Molecular FormulaC23H27FN2O5S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
SMILESCC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C23H27FN2O5S/c1-16(22(27)25-21-11-7-6-10-20(21)24)31-23(28)17-12-14-19(15-13-17)32(29,30)26(2)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,25,27)
InChIKeyJNXYCIWOMBQPGX-UHFFFAOYSA-N
XLogP3.96
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 8944484
[1-[(3-methyl-1,2-oxazol-5-yl)amino]-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 42933588
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46624780
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] benzoate
CID 2516964
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42987263
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(dimethylsulfamoyl)benzoate
CID 7960663
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7669485
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 2606399
methyl 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 26526871
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 40972763
[1-(2-fluoroanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 23831746
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 7796422

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate (CID 46611141) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is CC(OC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
The InChIKey is JNXYCIWOMBQPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O5S/c1-16(22(27)25-21-11-7-6-10-20(21)24)31-23(28)17-12-14-19(15-13-17)32(29,30)26(2)18-8-4-3-5-9-18/h6-7,10-16,18H,3-5,8-9H2,1-2H3,(H,25,27).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate has a molecular weight of 462.54 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate is sourced from PubChem (CID 46611141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).