[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate

C20H22N2O5S — CID 8641481

IUPAC[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-2-21-28(25,26)17-12-8-15(9-13-17)20(24)27-18(14-6-4-3-5-7-14)19(23)22-16-10-11-16/h3-9,12-13,16,18,21H,2,10-11H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyZJNJMAONJWBUQD-GOSISDBHSA-N
MW402.47 g/mol
LogP2.16
Rot. Bonds8

About [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 8641481) has the molecular formula C20H22N2O5S and a molecular weight of 402.47 g/mol. Its IUPAC name is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID8641481
Molecular FormulaC20H22N2O5S
Molecular Weight402.47 g/mol
Exact Mass402.12
IUPAC Name[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5S/c1-2-21-28(25,26)17-12-8-15(9-13-17)20(24)27-18(14-6-4-3-5-7-14)19(23)22-16-10-11-16/h3-9,12-13,16,18,21H,2,10-11H2,1H3,(H,22,23)/t18-/m1/s1
InChIKeyZJNJMAONJWBUQD-GOSISDBHSA-N
XLogP2.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 55476256
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-methyl-5-methylsulfonylbenzoate
CID 55391996
[2-(cyclopropylamino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 40571054
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954828
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828115
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 55390148
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18149699
[(2R)-1-anilino-1-oxopropan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 7828103

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate (CID 8641481) is [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1.
What is the InChIKey of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is ZJNJMAONJWBUQD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22N2O5S/c1-2-21-28(25,26)17-12-8-15(9-13-17)20(24)27-18(14-6-4-3-5-7-14)19(23)22-16-10-11-16/h3-9,12-13,16,18,21H,2,10-11H2,1H3,(H,22,23)/t18-/m1/s1.
What are the key properties of [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate?
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 402.47 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 8641481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).