[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

C23H30N2O6S — CID 46607894

IUPAC[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H30N2O6S/c1-16(2)18-8-6-17(7-9-18)12-13-24-22(26)15-31-23(27)19-10-11-20(30-5)21(14-19)32(28,29)25(3)4/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,26)
InChIKeyKYTIEMXGTKYTDN-UHFFFAOYSA-N
MW462.57 g/mol
LogP2.58
Rot. Bonds10

About [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate

[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (PubChem CID 46607894) has the molecular formula C23H30N2O6S and a molecular weight of 462.57 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
PubChem CID46607894
Molecular FormulaC23H30N2O6S
Molecular Weight462.57 g/mol
Exact Mass462.18
IUPAC Name[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C23H30N2O6S/c1-16(2)18-8-6-17(7-9-18)12-13-24-22(26)15-31-23(27)19-10-11-20(30-5)21(14-19)32(28,29)25(3)4/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,26)
InChIKeyKYTIEMXGTKYTDN-UHFFFAOYSA-N
XLogP2.58
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(propylamino)ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973353
[2-(butylamino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973340
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 4-methoxybenzoate
CID 9011270
2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 55411502
3-(dimethylsulfamoyl)-4-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 45374027
[2-(3-methylbutylamino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974295
(4-methylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973283
[2-(3-methylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973554
(4-tert-butylphenyl)methyl 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973287
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-propan-2-ylbenzamide
CID 9106497
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973553
[2-(3-fluoroanilino)-2-oxoethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate
CID 7973222

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The IUPAC name of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate (CID 46607894) is [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate.
What is the SMILES notation for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The canonical SMILES for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NCCc2ccc(C(C)C)cc2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
The InChIKey is KYTIEMXGTKYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O6S/c1-16(2)18-8-6-17(7-9-18)12-13-24-22(26)15-31-23(27)19-10-11-20(30-5)21(14-19)32(28,29)25(3)4/h6-11,14,16H,12-13,15H2,1-5H3,(H,24,26).
What are the key properties of [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate?
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate has a molecular weight of 462.57 g/mol, XLogP of 2.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 3-(dimethylsulfamoyl)-4-methoxybenzoate is sourced from PubChem (CID 46607894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).