methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate

C19H22N2O5S — CID 2242819

IUPACmethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-4-14(5-12-17)6-13-18(22)21-16-9-7-15(8-10-16)19(23)26-2/h4-5,7-12,20H,3,6,13H2,1-2H3,(H,21,22)
InChIKeyJTASYMMAHNXFIK-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.34
Rot. Bonds8

About methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate

methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate (PubChem CID 2242819) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate
PubChem CID2242819
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Namemethyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate
SMILESCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-4-14(5-12-17)6-13-18(22)21-16-9-7-15(8-10-16)19(23)26-2/h4-5,7-12,20H,3,6,13H2,1-2H3,(H,21,22)
InChIKeyJTASYMMAHNXFIK-UHFFFAOYSA-N
XLogP2.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate?
The IUPAC name of methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate (CID 2242819) is methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate.
What is the SMILES notation for methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate?
The canonical SMILES for methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate is CCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate?
The InChIKey is JTASYMMAHNXFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-3-20-27(24,25)17-11-4-14(5-12-17)6-13-18(22)21-16-9-7-15(8-10-16)19(23)26-2/h4-5,7-12,20H,3,6,13H2,1-2H3,(H,21,22).
What are the key properties of methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate?
methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate has a molecular weight of 390.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[4-(ethylsulfamoyl)phenyl]propanoylamino]benzoate is sourced from PubChem (CID 2242819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).