[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate

C18H19ClN2O5S — CID 4842671

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O5S/c19-15-5-1-14(2-6-15)11-18(23)26-12-17(22)21-10-9-13-3-7-16(8-4-13)27(20,24)25/h1-8H,9-12H2,(H,21,22)(H2,20,24,25)
InChIKeyIWAFFRXBAUQLOM-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.43
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate (PubChem CID 4842671) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate
PubChem CID4842671
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O5S/c19-15-5-1-14(2-6-15)11-18(23)26-12-17(22)21-10-9-13-3-7-16(8-4-13)27(20,24)25/h1-8H,9-12H2,(H,21,22)(H2,20,24,25)
InChIKeyIWAFFRXBAUQLOM-UHFFFAOYSA-N
XLogP1.43
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3,3-diphenylpropanoate
CID 2105722
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2433615
[2-Oxo-2-(2-phenylethylamino)ethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate
CID 7044391
[2-[4-(2,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 25163489
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate
CID 2557910
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-phenylpropanoate
CID 3676655
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 5002993
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16248958
[2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-phenylacetate
CID 24364182
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2092459
[(2-Phenylethyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2353505

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate (CID 4842671) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate?
The InChIKey is IWAFFRXBAUQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c19-15-5-1-14(2-6-15)11-18(23)26-12-17(22)21-10-9-13-3-7-16(8-4-13)27(20,24)25/h1-8H,9-12H2,(H,21,22)(H2,20,24,25).
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate has a molecular weight of 410.88 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(4-chlorophenyl)acetate is sourced from PubChem (CID 4842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).