[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

C19H20N2O5S — CID 2099350

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC1CC1
InChIInChI=1S/C19H20N2O5S/c22-18(21-16-9-10-16)13-26-19(23)15-7-4-8-17(11-15)27(24,25)20-12-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13H2,(H,21,22)
InChIKeyVPUWGOTWDQKWFN-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.60
Rot. Bonds8

About [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate

[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (PubChem CID 2099350) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
PubChem CID2099350
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
SMILESO=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC1CC1
InChIInChI=1S/C19H20N2O5S/c22-18(21-16-9-10-16)13-26-19(23)15-7-4-8-17(11-15)27(24,25)20-12-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13H2,(H,21,22)
InChIKeyVPUWGOTWDQKWFN-UHFFFAOYSA-N
XLogP1.60
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate (CID 2099350) is [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is O=C(COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
The InChIKey is VPUWGOTWDQKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c22-18(21-16-9-10-16)13-26-19(23)15-7-4-8-17(11-15)27(24,25)20-12-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13H2,(H,21,22).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate?
[2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate has a molecular weight of 388.45 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 2099350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).