3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate

C19H24N2O4S — CID 25061599

IUPAC3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate
SMILESCCN(CCCOC(=O)c1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-2-21(15-16-7-4-3-5-8-16)13-6-14-25-19(22)17-9-11-18(12-10-17)26(20,23)24/h3-5,7-12H,2,6,13-15H2,1H3,(H2,20,23,24)
InChIKeyLVAZLFWXILZTJD-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.40
Rot. Bonds9

About 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate

3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate (PubChem CID 25061599) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate.

Molecular Properties

Compound Name3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate
PubChem CID25061599
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate
SMILESCCN(CCCOC(=O)c1ccc(S(N)(=O)=O)cc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-2-21(15-16-7-4-3-5-8-16)13-6-14-25-19(22)17-9-11-18(12-10-17)26(20,23)24/h3-5,7-12H,2,6,13-15H2,1H3,(H2,20,23,24)
InChIKeyLVAZLFWXILZTJD-UHFFFAOYSA-N
XLogP2.40
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-sulfamoylbenzoate
CID 23274639
2-[ethyl(propan-2-yl)amino]ethyl 4-sulfamoylbenzoate
CID 25061352
bis[3-[ethyl(tridecyl)amino]propyl] benzene-1,4-dicarboxylate
CID 139953595
2-[6-[2-(4-benzoylbenzoyl)oxyethyl-ethylamino]hexyl-ethylamino]ethyl 4-benzoylbenzoate
CID 58194625
3-(diethylamino)propyl 3-(carboxyoxymethyl)benzoate
CID 178081110
6-[4-[[benzyl(hydroxy)amino]methyl]benzoyl]oxyhexyl 4-[[benzyl(hydroxy)amino]methyl]benzoate
CID 88666838
2-[benzyl(ethyl)amino]ethyl methanesulfonate
CID 87874420
5-[benzyl(ethyl)amino]pentan-2-one
CID 62050785
bis[3-(dihexylamino)propyl] benzene-1,4-dicarboxylate
CID 139956404
4-(diethylamino)butyl 4-aminobenzoate;hydrochloride
CID 131875080
ethyl 4-(diethylaminomethyl)benzoate
CID 786451
2-butoxyethyl 4-(diethylaminomethyl)benzoate
CID 100611648

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate?
The IUPAC name of 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate (CID 25061599) is 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate.
What is the SMILES notation for 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate?
The canonical SMILES for 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate is CCN(CCCOC(=O)c1ccc(S(N)(=O)=O)cc1)Cc1ccccc1.
What is the InChIKey of 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate?
The InChIKey is LVAZLFWXILZTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-2-21(15-16-7-4-3-5-8-16)13-6-14-25-19(22)17-9-11-18(12-10-17)26(20,23)24/h3-5,7-12H,2,6,13-15H2,1H3,(H2,20,23,24).
What are the key properties of 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate?
3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate has a molecular weight of 376.48 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(ethyl)amino]propyl 4-sulfamoylbenzoate is sourced from PubChem (CID 25061599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).