methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate

C20H24N2O6S — CID 55513170

IUPACmethyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1cc(C(=O)N(CCC(=O)OC)Cc2ccccc2)ccc1OC
InChIInChI=1S/C20H24N2O6S/c1-21-29(25,26)18-13-16(9-10-17(18)27-2)20(24)22(12-11-19(23)28-3)14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyYAMSLNGKOWJTOB-UHFFFAOYSA-N
MW420.49 g/mol
LogP1.81
Rot. Bonds9

About methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate

methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate (PubChem CID 55513170) has the molecular formula C20H24N2O6S and a molecular weight of 420.49 g/mol. Its IUPAC name is methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
PubChem CID55513170
Molecular FormulaC20H24N2O6S
Molecular Weight420.49 g/mol
Exact Mass420.14
IUPAC Namemethyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
SMILESCNS(=O)(=O)c1cc(C(=O)N(CCC(=O)OC)Cc2ccccc2)ccc1OC
InChIInChI=1S/C20H24N2O6S/c1-21-29(25,26)18-13-16(9-10-17(18)27-2)20(24)22(12-11-19(23)28-3)14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3
InChIKeyYAMSLNGKOWJTOB-UHFFFAOYSA-N
XLogP1.81
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-4-methoxy-3-(methylsulfamoyl)benzamide
CID 55992810
methyl 3-[benzyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]propanoate
CID 55513252
methyl 3-[benzyl-[2-chloro-5-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513995
4-methoxy-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfamoyl)benzamide
CID 8966511
methyl 3-[benzyl-[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]propanoate
CID 55512838
methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate
CID 55513076
[(2R)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 8988403
methyl 3-[[3-(4-acetylpiperazin-1-yl)sulfonylbenzoyl]-benzylamino]propanoate
CID 55514492
4-methoxy-3-(methylsulfamoyl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 40742244
methyl 3-[benzyl-[4-[(4-ethoxyphenyl)sulfamoyl]benzoyl]amino]propanoate
CID 55513753
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate (CID 55513170) is methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate is CNS(=O)(=O)c1cc(C(=O)N(CCC(=O)OC)Cc2ccccc2)ccc1OC.
What is the InChIKey of methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate?
The InChIKey is YAMSLNGKOWJTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O6S/c1-21-29(25,26)18-13-16(9-10-17(18)27-2)20(24)22(12-11-19(23)28-3)14-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3.
What are the key properties of methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate?
methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate has a molecular weight of 420.49 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate is sourced from PubChem (CID 55513170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).