[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate

C24H25FN2O5S — CID 55316037

IUPAC[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C24H25FN2O5S/c1-4-27(5-2)33(30,31)22-15-19(11-13-21(22)25)24(29)32-16(3)23(28)26-20-12-10-17-8-6-7-9-18(17)14-20/h6-16H,4-5H2,1-3H3,(H,26,28)
InChIKeyOSGRHWBFYJNUMF-UHFFFAOYSA-N
MW472.54 g/mol
LogP4.19
Rot. Bonds8

About [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate

[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 55316037) has the molecular formula C24H25FN2O5S and a molecular weight of 472.54 g/mol. Its IUPAC name is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID55316037
Molecular FormulaC24H25FN2O5S
Molecular Weight472.54 g/mol
Exact Mass472.15
IUPAC Name[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1F
InChIInChI=1S/C24H25FN2O5S/c1-4-27(5-2)33(30,31)22-15-19(11-13-21(22)25)24(29)32-16(3)23(28)26-20-12-10-17-8-6-7-9-18(17)14-20/h6-16H,4-5H2,1-3H3,(H,26,28)
InChIKeyOSGRHWBFYJNUMF-UHFFFAOYSA-N
XLogP4.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate with MolForge

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Related Compounds

[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-chloro-3-(diethylsulfamoyl)benzoate
CID 2510482
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7697782
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate
CID 7753088
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylbenzoate
CID 7972159
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-methylsulfanylbenzoate
CID 8507813
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966531
[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)benzoate
CID 2505819
3-(diethylsulfamoyl)-4-fluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4055507
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate
CID 7698066
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017680
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55390148
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2,4-difluorobenzoate
CID 7951566

Frequently Asked Questions

What is the IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 55316037) is [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OC(C)C(=O)Nc2ccc3ccccc3c2)ccc1F.
What is the InChIKey of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is OSGRHWBFYJNUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O5S/c1-4-27(5-2)33(30,31)22-15-19(11-13-21(22)25)24(29)32-16(3)23(28)26-20-12-10-17-8-6-7-9-18(17)14-20/h6-16H,4-5H2,1-3H3,(H,26,28).
What are the key properties of [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
[1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 472.54 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 55316037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).