ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate

C15H22N2O5S — CID 24678382

IUPACethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-14(18)11-17(5-2)23(20,21)13-9-7-12(8-10-13)15(19)22-6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18)
InChIKeyBEVIQWLFFMOYMX-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.01
Rot. Bonds8

About ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate

ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate (PubChem CID 24678382) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
PubChem CID24678382
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nameethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate
SMILESCCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C15H22N2O5S/c1-4-16-14(18)11-17(5-2)23(20,21)13-9-7-12(8-10-13)15(19)22-6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18)
InChIKeyBEVIQWLFFMOYMX-UHFFFAOYSA-N
XLogP1.01
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
ethyl 4-[[2-[ethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 4675849
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 9338816
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 4593539
ethyl 4-[[2-[ethyl(naphthalen-2-ylsulfonyl)amino]acetyl]amino]benzoate
CID 2217901
ethyl 4-[[2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 1333816
2-[(3-aminophenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114463
2-[(3-amino-4,5-dimethylphenyl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114656
ethyl 4-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)sulfamoyl]benzoate
CID 55729104
2-[2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl(ethyl)amino]-N-ethylacetamide
CID 24678373
butyl 4-[[2-[(4-chlorophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 45372656
methyl 4-[[2-[(4-bromophenyl)sulfonyl-ethylamino]acetyl]amino]benzoate
CID 2242857

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate (CID 24678382) is ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate is CCNC(=O)CN(CC)S(=O)(=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate?
The InChIKey is BEVIQWLFFMOYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-4-16-14(18)11-17(5-2)23(20,21)13-9-7-12(8-10-13)15(19)22-6-3/h7-10H,4-6,11H2,1-3H3,(H,16,18).
What are the key properties of ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate?
ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate has a molecular weight of 342.42 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethyl-[2-(ethylamino)-2-oxoethyl]sulfamoyl]benzoate is sourced from PubChem (CID 24678382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).