[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate

C17H25N3O6S — CID 9017791

IUPAC[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H25N3O6S/c1-5-9-18-16(22)12(2)19-15(21)11-26-17(23)13-7-6-8-14(10-13)27(24,25)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyRSXFMXRSUNCOLA-GFCCVEGCSA-N
MW399.47 g/mol
LogP0.12
Rot. Bonds9

About [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate

[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate (PubChem CID 9017791) has the molecular formula C17H25N3O6S and a molecular weight of 399.47 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
PubChem CID9017791
Molecular FormulaC17H25N3O6S
Molecular Weight399.47 g/mol
Exact Mass399.15
IUPAC Name[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate
SMILESCCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H25N3O6S/c1-5-9-18-16(22)12(2)19-15(21)11-26-17(23)13-7-6-8-14(10-13)27(24,25)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1
InChIKeyRSXFMXRSUNCOLA-GFCCVEGCSA-N
XLogP0.12
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960640
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylamino)benzoate
CID 9228838
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(trifluoromethyl)benzoate
CID 9014607
[2-(benzhydrylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 23965276
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960790
[2-(methylamino)-2-oxoethyl] 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753650
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017790
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577548
[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
[2-oxo-2-(propylcarbamoylamino)ethyl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577669
[2-(diethylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 7960641
3-[methyl(phenyl)sulfamoyl]-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 18532497

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate (CID 9017791) is [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate is CCCNC(=O)[C@@H](C)NC(=O)COC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate?
The InChIKey is RSXFMXRSUNCOLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H25N3O6S/c1-5-9-18-16(22)12(2)19-15(21)11-26-17(23)13-7-6-8-14(10-13)27(24,25)20(3)4/h6-8,10,12H,5,9,11H2,1-4H3,(H,18,22)(H,19,21)/t12-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate?
[2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate has a molecular weight of 399.47 g/mol, XLogP of 0.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 9017791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).