[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate

C20H24N2O5S — CID 7837296

IUPAC[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate
SMILESCCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O5S/c1-3-11-21-19(23)14-27-20(24)18-12-17(10-9-15(18)2)28(25,26)22-13-16-7-5-4-6-8-16/h4-10,12,22H,3,11,13-14H2,1-2H3,(H,21,23)
InChIKeyMVJAXUJHNVNARV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.16
Rot. Bonds9

About [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate

[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate (PubChem CID 7837296) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate
PubChem CID7837296
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate
SMILESCCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C
InChIInChI=1S/C20H24N2O5S/c1-3-11-21-19(23)14-27-20(24)18-12-17(10-9-15(18)2)28(25,26)22-13-16-7-5-4-6-8-16/h4-10,12,22H,3,11,13-14H2,1-2H3,(H,21,23)
InChIKeyMVJAXUJHNVNARV-UHFFFAOYSA-N
XLogP2.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(furan-2-ylmethylsulfamoyl)-2-methylbenzoate
CID 33495176
[2-oxo-2-(3-phenylpropylamino)ethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46603077
[2-(benzylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519930
5-(benzylsulfamoyl)-N-(2-hydroxyethyl)-2-methylbenzamide
CID 71903697
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379
5-(benzylsulfamoyl)-2-methyl-N-(2-methylbutan-2-yl)benzamide
CID 46554762
5-(benzylsulfamoyl)-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51166535
2-[[5-(benzylsulfamoyl)-2-methylbenzoyl]-methylamino]propanoic acid
CID 119209339
5-(benzylsulfamoyl)-2-methyl-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119432113
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518241
5-(benzylsulfamoyl)-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
CID 55948933
methyl 2-methyl-5-(propylsulfamoyl)benzoate
CID 95970856

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate?
The IUPAC name of [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate (CID 7837296) is [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate.
What is the SMILES notation for [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate?
The canonical SMILES for [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate is CCCNC(=O)COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C.
What is the InChIKey of [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate?
The InChIKey is MVJAXUJHNVNARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-3-11-21-19(23)14-27-20(24)18-12-17(10-9-15(18)2)28(25,26)22-13-16-7-5-4-6-8-16/h4-10,12,22H,3,11,13-14H2,1-2H3,(H,21,23).
What are the key properties of [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate?
[2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate has a molecular weight of 404.49 g/mol, XLogP of 2.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propylamino)ethyl] 5-(benzylsulfamoyl)-2-methylbenzoate is sourced from PubChem (CID 7837296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).