[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate

C21H26N2O6S — CID 7044363

IUPAC[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)18-11-8-10-16(13-18)21(25)29-15-20(24)22-14-17-9-6-7-12-19(17)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyCEWVHTCNVXCJBG-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.20
Rot. Bonds10

About [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate (PubChem CID 7044363) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
PubChem CID7044363
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)18-11-8-10-16(13-18)21(25)29-15-20(24)22-14-17-9-6-7-12-19(17)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24)
InChIKeyCEWVHTCNVXCJBG-UHFFFAOYSA-N
XLogP2.20
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate (CID 7044363) is [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2OC)c1.
What is the InChIKey of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
The InChIKey is CEWVHTCNVXCJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-23(5-2)30(26,27)18-11-8-10-16(13-18)21(25)29-15-20(24)22-14-17-9-6-7-12-19(17)28-3/h6-13H,4-5,14-15H2,1-3H3,(H,22,24).
What are the key properties of [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate?
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate has a molecular weight of 434.51 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7044363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).