butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate

C24H30N2O7S — CID 55314415

IUPACbutyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-4-7-16-32-23(28)18-8-12-20(13-9-18)25-22(27)17-33-24(29)19-10-14-21(15-11-19)34(30,31)26(5-2)6-3/h8-15H,4-7,16-17H2,1-3H3,(H,25,27)
InChIKeySNSHPWPRLVONAC-UHFFFAOYSA-N
MW490.58 g/mol
LogP3.47
Rot. Bonds12

About butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate

butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate (PubChem CID 55314415) has the molecular formula C24H30N2O7S and a molecular weight of 490.58 g/mol. Its IUPAC name is butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
PubChem CID55314415
Molecular FormulaC24H30N2O7S
Molecular Weight490.58 g/mol
Exact Mass490.18
IUPAC Namebutyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C24H30N2O7S/c1-4-7-16-32-23(28)18-8-12-20(13-9-18)25-22(27)17-33-24(29)19-10-14-21(15-11-19)34(30,31)26(5-2)6-3/h8-15H,4-7,16-17H2,1-3H3,(H,25,27)
InChIKeySNSHPWPRLVONAC-UHFFFAOYSA-N
XLogP3.47
TPSA119.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.58
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 55314654
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
butyl 4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45372656
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 2346813
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
butyl 4-[(2-methoxyacetyl)amino]benzoate
CID 19178350
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 7377113
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2-ethoxyacetate
CID 8709618
butyl 4-[[2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]benzoate
CID 30276350
[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777321
[2-(2-chloroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557633

Frequently Asked Questions

What is the IUPAC name of butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate?
The IUPAC name of butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate (CID 55314415) is butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate.
What is the SMILES notation for butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate?
The canonical SMILES for butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate?
The InChIKey is SNSHPWPRLVONAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O7S/c1-4-7-16-32-23(28)18-8-12-20(13-9-18)25-22(27)17-33-24(29)19-10-14-21(15-11-19)34(30,31)26(5-2)6-3/h8-15H,4-7,16-17H2,1-3H3,(H,25,27).
What are the key properties of butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate?
butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate has a molecular weight of 490.58 g/mol, XLogP of 3.47, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[[2-[4-(diethylsulfamoyl)benzoyl]oxyacetyl]amino]benzoate is sourced from PubChem (CID 55314415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).