[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

C26H28N2O7S — CID 25376274

IUPAC[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C26H28N2O7S/c1-18(12-13-19-8-4-3-5-9-19)27-25(30)17-35-26(31)21-16-20(14-15-23(21)29)36(32,33)28-22-10-6-7-11-24(22)34-2/h3-11,14-16,18,28-29H,12-13,17H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyNOZLNRJQJPPBNE-GOSISDBHSA-N
MW512.58 g/mol
LogP3.50
Rot. Bonds11

About [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate

[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 25376274) has the molecular formula C26H28N2O7S and a molecular weight of 512.58 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
PubChem CID25376274
Molecular FormulaC26H28N2O7S
Molecular Weight512.58 g/mol
Exact Mass512.16
IUPAC Name[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c1
InChIInChI=1S/C26H28N2O7S/c1-18(12-13-19-8-4-3-5-9-19)27-25(30)17-35-26(31)21-16-20(14-15-23(21)29)36(32,33)28-22-10-6-7-11-24(22)34-2/h3-11,14-16,18,28-29H,12-13,17H2,1-2H3,(H,27,30)/t18-/m1/s1
InChIKeyNOZLNRJQJPPBNE-GOSISDBHSA-N
XLogP3.50
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.58
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate
CID 16518241
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 42967832
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 24538338
2-[2-methyl-4-(phenylsulfamoyl)phenoxy]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 41032281
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091273
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 2091272
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648239
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7648245
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-methylsulfonylbenzoate
CID 2528846
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methoxy-5-sulfamoylbenzoate
CID 7467931
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 3-hydroxybenzoate
CID 7483706
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (2S)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 16565689

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate (CID 25376274) is [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N[C@H](C)CCc2ccccc2)c1.
What is the InChIKey of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is NOZLNRJQJPPBNE-GOSISDBHSA-N. The full InChI is InChI=1S/C26H28N2O7S/c1-18(12-13-19-8-4-3-5-9-19)27-25(30)17-35-26(31)21-16-20(14-15-23(21)29)36(32,33)28-22-10-6-7-11-24(22)34-2/h3-11,14-16,18,28-29H,12-13,17H2,1-2H3,(H,27,30)/t18-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate?
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 512.58 g/mol, XLogP of 3.50, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25376274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).