[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate

C26H28N2O5S — CID 25331633

IUPAC[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-17-14-15-22(34(31,32)28-24-13-9-8-10-18(24)2)16-23(17)26(30)33-20(4)25(29)27-19(3)21-11-6-5-7-12-21/h5-16,19-20,28H,1-4H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyACPPOPKJGKKGTG-WOJBJXKFSA-N
MW480.59 g/mol
LogP4.53
Rot. Bonds8

About [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate

[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate (PubChem CID 25331633) has the molecular formula C26H28N2O5S and a molecular weight of 480.59 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate
PubChem CID25331633
Molecular FormulaC26H28N2O5S
Molecular Weight480.59 g/mol
Exact Mass480.17
IUPAC Name[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1
InChIInChI=1S/C26H28N2O5S/c1-17-14-15-22(34(31,32)28-24-13-9-8-10-18(24)2)16-23(17)26(30)33-20(4)25(29)27-19(3)21-11-6-5-7-12-21/h5-16,19-20,28H,1-4H3,(H,27,29)/t19-,20-/m1/s1
InChIKeyACPPOPKJGKKGTG-WOJBJXKFSA-N
XLogP4.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 24588058
N-(1-methoxypropan-2-yl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 42938964
[(2R)-1-[[(1S,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzoate
CID 41409459
2-[[2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoyl]amino]butanoic acid
CID 119223855
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-(1-phenylethyl)benzamide
CID 46522983
[1-oxo-1-(1-phenylethylamino)propan-2-yl] 5-bromo-2-hydroxybenzoate
CID 42975577
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate
CID 9059206
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate
CID 18091987
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-methyl-5-methylsulfonylbenzoate
CID 8577872
N-[1-(3-acetamidophenyl)ethyl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide
CID 46598946
2-(naphthalen-2-ylsulfonylamino)-N-[(1R)-1-phenylethyl]benzamide
CID 2219459
N-(4-carbamoyl-3-methylphenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 56527434

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate (CID 25331633) is [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate is Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1.
What is the InChIKey of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate?
The InChIKey is ACPPOPKJGKKGTG-WOJBJXKFSA-N. The full InChI is InChI=1S/C26H28N2O5S/c1-17-14-15-22(34(31,32)28-24-13-9-8-10-18(24)2)16-23(17)26(30)33-20(4)25(29)27-19(3)21-11-6-5-7-12-21/h5-16,19-20,28H,1-4H3,(H,27,29)/t19-,20-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate?
[(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate has a molecular weight of 480.59 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1R)-1-phenylethyl]amino]propan-2-yl] 2-methyl-5-[(2-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 25331633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).