[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate

C22H27N3O6S — CID 2999757

IUPAC[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H27N3O6S/c1-3-25(4-2)32(29,30)19-12-8-11-18(13-19)22(28)24-15-21(27)31-16-20(26)23-14-17-9-6-5-7-10-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyMAEPJLAUXQVHOG-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.31
Rot. Bonds11

About [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate

[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate (PubChem CID 2999757) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
PubChem CID2999757
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C22H27N3O6S/c1-3-25(4-2)32(29,30)19-12-8-11-18(13-19)22(28)24-15-21(27)31-16-20(26)23-14-17-9-6-5-7-10-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyMAEPJLAUXQVHOG-UHFFFAOYSA-N
XLogP1.31
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate (CID 2999757) is [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate is CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC(=O)NCc2ccccc2)c1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate?
The InChIKey is MAEPJLAUXQVHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-3-25(4-2)32(29,30)19-12-8-11-18(13-19)22(28)24-15-21(27)31-16-20(26)23-14-17-9-6-5-7-10-17/h5-13H,3-4,14-16H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate?
[2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate has a molecular weight of 461.54 g/mol, XLogP of 1.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-[[3-(diethylsulfamoyl)benzoyl]amino]acetate is sourced from PubChem (CID 2999757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).