(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate

C24H24N2O6S — CID 4802055

IUPAC(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OC(C)C(N)=O)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(23(25)27)32-24(28)19-9-6-10-22(15-19)33(29,30)26(16-18-7-4-3-5-8-18)20-11-13-21(31-2)14-12-20/h3-15,17H,16H2,1-2H3,(H2,25,27)
InChIKeyREYUBOPFAJGHHD-UHFFFAOYSA-N
MW468.53 g/mol
LogP3.12
Rot. Bonds9

About (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate

(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate (PubChem CID 4802055) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
PubChem CID4802055
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OC(C)C(N)=O)c2)cc1
InChIInChI=1S/C24H24N2O6S/c1-17(23(25)27)32-24(28)19-9-6-10-22(15-19)33(29,30)26(16-18-7-4-3-5-8-18)20-11-13-21(31-2)14-12-20/h3-15,17H,16H2,1-2H3,(H2,25,27)
InChIKeyREYUBOPFAJGHHD-UHFFFAOYSA-N
XLogP3.12
TPSA116.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate with MolForge

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Related Compounds

[(1R)-1-cyanoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598645
3-oxobutan-2-yl 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 18286020
(3,3-dimethyl-2-oxobutyl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598663
[(2S)-1-amino-1-oxopropan-2-yl] 3-[butyl(phenyl)sulfamoyl]benzoate
CID 2577928
[2-(cyclopropylamino)-2-oxoethyl] 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 2598669
(3-methyl-1,2-oxazol-5-yl)methyl 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate
CID 24518829
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 2574935
[(2S)-1-amino-1-oxopropan-2-yl] 3-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2609494
3-[benzyl(phenyl)sulfamoyl]-N-methoxybenzamide
CID 33098006
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
[2-(diethylamino)-2-oxoethyl] 3-[benzyl(phenyl)sulfamoyl]benzoate
CID 40919367
propan-2-yl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 18098378

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate (CID 4802055) is (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)OC(C)C(N)=O)c2)cc1.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
The InChIKey is REYUBOPFAJGHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-17(23(25)27)32-24(28)19-9-6-10-22(15-19)33(29,30)26(16-18-7-4-3-5-8-18)20-11-13-21(31-2)14-12-20/h3-15,17H,16H2,1-2H3,(H2,25,27).
What are the key properties of (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate?
(1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate has a molecular weight of 468.53 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 3-[benzyl-(4-methoxyphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 4802055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).