[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate

C19H22N2O5S — CID 2431315

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O5S/c1-14(2)21-18(22)13-26-19(23)16-9-6-10-17(11-16)27(24,25)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,22)
InChIKeyIVYPWKKIVCSKKP-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.85
Rot. Bonds8

About [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate (PubChem CID 2431315) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
PubChem CID2431315
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate
SMILESCC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H22N2O5S/c1-14(2)21-18(22)13-26-19(23)16-9-6-10-17(11-16)27(24,25)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,22)
InChIKeyIVYPWKKIVCSKKP-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 55313269
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2096209
[2-(4-methylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25047077
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2116682
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 3-(benzylsulfamoyl)benzoate
CID 2382502
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 29141441
[2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 25038980
1-phenylethyl 3-(benzylsulfamoyl)benzoate
CID 16520938
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 2388022
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-(propylsulfamoyl)benzoate
CID 7537079
[2-(2-methoxyphenyl)-2-oxoethyl] 3-(benzylsulfamoyl)benzoate
CID 16520940

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate (CID 2431315) is [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate is CC(C)NC(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate?
The InChIKey is IVYPWKKIVCSKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-14(2)21-18(22)13-26-19(23)16-9-6-10-17(11-16)27(24,25)20-12-15-7-4-3-5-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate has a molecular weight of 390.46 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3-(benzylsulfamoyl)benzoate is sourced from PubChem (CID 2431315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).