[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate

C18H20N2O5S — CID 55416915

IUPAC[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-13-7-9-14(10-8-13)18(22)25-12(2)17(21)20-15-5-4-6-16(11-15)26(19,23)24/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyZIWSLHHJUBLOGV-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.08
Rot. Bonds6

About [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate

[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate (PubChem CID 55416915) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate.

Molecular Properties

Compound Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
PubChem CID55416915
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H20N2O5S/c1-3-13-7-9-14(10-8-13)18(22)25-12(2)17(21)20-15-5-4-6-16(11-15)26(19,23)24/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,23,24)
InChIKeyZIWSLHHJUBLOGV-UHFFFAOYSA-N
XLogP2.08
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732520
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3-(dimethylamino)benzoate
CID 46619536
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethylbenzoate
CID 7775585
[1-(4-ethylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate
CID 16514558
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-chloro-3-(dimethylsulfamoyl)benzoate
CID 55422080
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoate
CID 55998873
[1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-acetamidobenzoate
CID 55315726
[(2R)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 4-(methoxymethyl)benzoate
CID 7488811
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 7993767
[(2S)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 8970855
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 5-bromo-2-hydroxybenzoate
CID 46629383
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 46623429

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate?
The IUPAC name of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate (CID 55416915) is [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate.
What is the SMILES notation for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate?
The canonical SMILES for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate is CCc1ccc(C(=O)OC(C)C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate?
The InChIKey is ZIWSLHHJUBLOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-13-7-9-14(10-8-13)18(22)25-12(2)17(21)20-15-5-4-6-16(11-15)26(19,23)24/h4-12H,3H2,1-2H3,(H,20,21)(H2,19,23,24).
What are the key properties of [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate?
[1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate has a molecular weight of 376.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 4-ethylbenzoate is sourced from PubChem (CID 55416915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).