[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

C23H32N2O6S — CID 5113069

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O6S/c1-3-25(4-2)32(29,30)18-5-6-20(26)19(10-18)22(28)31-14-21(27)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17,26H,3-4,7-9,11-14H2,1-2H3,(H,24,27)
InChIKeyGIDWPXBHNJVHFY-UHFFFAOYSA-N
MW464.58 g/mol
LogP2.66
Rot. Bonds8

About [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate

[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (PubChem CID 5113069) has the molecular formula C23H32N2O6S and a molecular weight of 464.58 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
PubChem CID5113069
Molecular FormulaC23H32N2O6S
Molecular Weight464.58 g/mol
Exact Mass464.20
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H32N2O6S/c1-3-25(4-2)32(29,30)18-5-6-20(26)19(10-18)22(28)31-14-21(27)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17,26H,3-4,7-9,11-14H2,1-2H3,(H,24,27)
InChIKeyGIDWPXBHNJVHFY-UHFFFAOYSA-N
XLogP2.66
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 4103005
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361888
[2-(Tert-butylamino)-2-oxoethyl] 5-(azepan-1-ylsulfonyl)-2-methoxybenzoate
CID 2435854
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 2999615
[2-(1-Adamantylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 5225981
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 4574982
[2-[Benzyl(methyl)amino]-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2361881
[2-(Cyclopentylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate
CID 2393503
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-5-morpholin-4-ylsulfonylbenzoate
CID 4268036
[2-(Benzylamino)-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 2123256
[2-(Benzylamino)-2-oxoethyl] 5-(benzylsulfamoyl)-2-hydroxybenzoate
CID 2456097
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-5-pyrrolidin-1-ylsulfonylbenzoate
CID 4637026

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate (CID 5113069) is [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
The InChIKey is GIDWPXBHNJVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O6S/c1-3-25(4-2)32(29,30)18-5-6-20(26)19(10-18)22(28)31-14-21(27)24-23-11-15-7-16(12-23)9-17(8-15)13-23/h5-6,10,15-17,26H,3-4,7-9,11-14H2,1-2H3,(H,24,27).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate?
[2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate has a molecular weight of 464.58 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 5-(diethylsulfamoyl)-2-hydroxybenzoate is sourced from PubChem (CID 5113069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).