[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate

C24H24N2O6S — CID 46814702

IUPAC[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C24H24N2O6S/c1-31-21-13-12-19(15-22(21)33(25,29)30)24(28)32-16-23(27)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,27)(H2,25,29,30)
InChIKeyKZRAMFCECDOZMK-UHFFFAOYSA-N
MW468.53 g/mol
LogP2.60
Rot. Bonds9

About [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate

[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate (PubChem CID 46814702) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
PubChem CID46814702
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1S(N)(=O)=O
InChIInChI=1S/C24H24N2O6S/c1-31-21-13-12-19(15-22(21)33(25,29)30)24(28)32-16-23(27)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,27)(H2,25,29,30)
InChIKeyKZRAMFCECDOZMK-UHFFFAOYSA-N
XLogP2.60
TPSA124.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate with MolForge

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Related Compounds

4-O-[2-(1,2-diphenylethylamino)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55373772
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974236
[2-[[(1R)-1,2-diphenylethyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8566042
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-fluoro-4-methoxybenzoate
CID 7522915
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
1-O-methyl 4-O-[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] benzene-1,4-dicarboxylate
CID 7521657
[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-methoxy-3-nitrobenzoate
CID 8708447
N-[(1R)-1,2-diphenylethyl]-3-fluoro-4-methoxybenzamide
CID 27708301
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-ethoxy-4-methoxybenzoate
CID 7558706
(3R)-3-acetamido-N-(4-methoxy-3-sulfamoylphenyl)-3-phenylpropanamide
CID 7999988
[2-(1,2-diphenylethylamino)-2-oxoethyl] 2-fluorobenzoate
CID 18193784
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55424458

Frequently Asked Questions

What is the IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate?
The IUPAC name of [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate (CID 46814702) is [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate.
What is the SMILES notation for [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate?
The canonical SMILES for [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate is COc1ccc(C(=O)OCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1S(N)(=O)=O.
What is the InChIKey of [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate?
The InChIKey is KZRAMFCECDOZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-31-21-13-12-19(15-22(21)33(25,29)30)24(28)32-16-23(27)26-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15,20H,14,16H2,1H3,(H,26,27)(H2,25,29,30).
What are the key properties of [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate?
[2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate has a molecular weight of 468.53 g/mol, XLogP of 2.60, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-diphenylethylamino)-2-oxoethyl] 4-methoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 46814702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).