[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

C21H26N2O6S — CID 2361881

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(27,28)17-11-12-19(24)18(13-17)21(26)29-15-20(25)22(3)14-16-9-7-6-8-10-16/h6-13,24H,4-5,14-15H2,1-3H3
InChIKeyLKHGORAMRGNIKG-UHFFFAOYSA-N
MW434.51 g/mol
LogP2.24
Rot. Bonds9

About [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (PubChem CID 2361881) has the molecular formula C21H26N2O6S and a molecular weight of 434.51 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
PubChem CID2361881
Molecular FormulaC21H26N2O6S
Molecular Weight434.51 g/mol
Exact Mass434.15
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1
InChIInChI=1S/C21H26N2O6S/c1-4-23(5-2)30(27,28)17-11-12-19(24)18(13-17)21(26)29-15-20(25)22(3)14-16-9-7-6-8-10-16/h6-13,24H,4-5,14-15H2,1-3H3
InChIKeyLKHGORAMRGNIKG-UHFFFAOYSA-N
XLogP2.24
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.51
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2123466
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 3956184
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361888
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoate
CID 2999240
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 2999615
2-[[(2-Methoxyphenyl)methyl]amino]-2-oxoethyl 3-[(diethylamino)sulfonyl]benzoate
CID 7044363
[2-[Benzyl(ethyl)amino]-2-oxoethyl] 2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]benzoate
CID 2358467
2-Oxo-2-(tricyclo[3.3.1.13,7]dec-1-ylamino)ethyl 5-[(diethylamino)sulfonyl]-2-hydroxybenzoate
CID 5113069
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-methoxy-5-sulfamoylbenzoate
CID 16275278
4-[2-Methoxy-5-(pyrrolidin-1-ylsulfonyl)benzoyl]morpholine
CID 1506643
[2-[(2-Methoxyphenyl)methylamino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 2715372
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 4574982

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (CID 2361881) is [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)N(C)Cc2ccccc2)c1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The InChIKey is LKHGORAMRGNIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6S/c1-4-23(5-2)30(27,28)17-11-12-19(24)18(13-17)21(26)29-15-20(25)22(3)14-16-9-7-6-8-10-16/h6-13,24H,4-5,14-15H2,1-3H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate has a molecular weight of 434.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is sourced from PubChem (CID 2361881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).