[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate

C23H29N3O7S — CID 4842502

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H29N3O7S/c1-2-3-14-32-19-8-6-18(7-9-19)23(29)26-15-22(28)33-16-21(27)25-13-12-17-4-10-20(11-5-17)34(24,30)31/h4-11H,2-3,12-16H2,1H3,(H,25,27)(H,26,29)(H2,24,30,31)
InChIKeyABLQBMCJOUAZRS-UHFFFAOYSA-N
MW491.57 g/mol
LogP1.14
Rot. Bonds13

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate (PubChem CID 4842502) has the molecular formula C23H29N3O7S and a molecular weight of 491.57 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
PubChem CID4842502
Molecular FormulaC23H29N3O7S
Molecular Weight491.57 g/mol
Exact Mass491.17
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
SMILESCCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C23H29N3O7S/c1-2-3-14-32-19-8-6-18(7-9-19)23(29)26-15-22(28)33-16-21(27)25-13-12-17-4-10-20(11-5-17)34(24,30)31/h4-11H,2-3,12-16H2,1H3,(H,25,27)(H,26,29)(H2,24,30,31)
InChIKeyABLQBMCJOUAZRS-UHFFFAOYSA-N
XLogP1.14
TPSA153.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
4-(2-fluoroethoxy)-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 75047493
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7905904
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 42981383
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885614
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
4-(aminomethyl)-N-[2-(4-butoxyphenyl)ethyl]benzamide;hydrochloride
CID 119284651
4-butoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 7997659

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate (CID 4842502) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate is CCCCOc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
The InChIKey is ABLQBMCJOUAZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7S/c1-2-3-14-32-19-8-6-18(7-9-19)23(29)26-15-22(28)33-16-21(27)25-13-12-17-4-10-20(11-5-17)34(24,30)31/h4-11H,2-3,12-16H2,1H3,(H,25,27)(H,26,29)(H2,24,30,31).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate has a molecular weight of 491.57 g/mol, XLogP of 1.14, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate is sourced from PubChem (CID 4842502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).