[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate

C24H30N2O7S — CID 42981383

IUPAC[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
SMILESCCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-2-3-4-15-32-20-9-7-19(8-10-20)22(27)13-14-24(29)33-17-23(28)26-16-18-5-11-21(12-6-18)34(25,30)31/h5-12H,2-4,13-17H2,1H3,(H,26,28)(H2,25,30,31)
InChIKeyPDCHAXGCJKIVHY-UHFFFAOYSA-N
MW490.58 g/mol
LogP2.73
Rot. Bonds14

About [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate

[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate (PubChem CID 42981383) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate.

Molecular Properties

Compound Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
PubChem CID42981383
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Name[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
SMILESCCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-2-3-4-15-32-20-9-7-19(8-10-20)22(27)13-14-24(29)33-17-23(28)26-16-18-5-11-21(12-6-18)34(25,30)31/h5-12H,2-4,13-17H2,1H3,(H,26,28)(H2,25,30,31)
InChIKeyPDCHAXGCJKIVHY-UHFFFAOYSA-N
XLogP2.73
TPSA141.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-(4-sulfamoylanilino)ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 4833159
4-heptoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783642
2-(4-propanoylphenoxy)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 2435086
4-oxo-4-(4-pentoxyphenyl)-N-(4-sulfamoylphenyl)butanamide
CID 2121886
[2-(tert-butylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55307331
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 4842502
4-pentoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17371674
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 55401021
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(3-methylbutoxy)benzoate
CID 42981381
N-[(4-sulfamoylphenyl)methyl]hexanamide
CID 3562284
(2-benzamido-2-oxoethyl) 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 7222142
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate
CID 16503896

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate?
The IUPAC name of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate (CID 42981383) is [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate.
What is the SMILES notation for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate?
The canonical SMILES for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate is CCCCCOc1ccc(C(=O)CCC(=O)OCC(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate?
The InChIKey is PDCHAXGCJKIVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-2-3-4-15-32-20-9-7-19(8-10-20)22(27)13-14-24(29)33-17-23(28)26-16-18-5-11-21(12-6-18)34(25,30)31/h5-12H,2-4,13-17H2,1H3,(H,26,28)(H2,25,30,31).
What are the key properties of [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate?
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate has a molecular weight of 490.58 g/mol, XLogP of 2.73, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate is sourced from PubChem (CID 42981383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).