[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

C19H19ClN2O5S — CID 2398642

IUPAC[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O5S/c20-17-4-2-1-3-15(17)7-10-19(24)27-13-18(23)22-12-11-14-5-8-16(9-6-14)28(21,25)26/h1-10H,11-13H2,(H,22,23)(H2,21,25,26)/b10-7+
InChIKeyPSYSIQFSSCRIHD-JXMROGBWSA-N
MW422.89 g/mol
LogP1.90
Rot. Bonds8

About [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (PubChem CID 2398642) has the molecular formula C19H19ClN2O5S and a molecular weight of 422.89 g/mol. Its IUPAC name is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
PubChem CID2398642
Molecular FormulaC19H19ClN2O5S
Molecular Weight422.89 g/mol
Exact Mass422.07
IUPAC Name[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
SMILESNS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1
InChIInChI=1S/C19H19ClN2O5S/c20-17-4-2-1-3-15(17)7-10-19(24)27-13-18(23)22-12-11-14-5-8-16(9-6-14)28(21,25)26/h1-10H,11-13H2,(H,22,23)(H2,21,25,26)/b10-7+
InChIKeyPSYSIQFSSCRIHD-JXMROGBWSA-N
XLogP1.90
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.89
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2-chlorophenyl)methyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 2391161
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 5213585
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 5852048
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate
CID 5981212
[2-(Benzylamino)-2-oxoethyl] 2-[(4-chlorophenyl)sulfonyl-methylamino]acetate
CID 2417702
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 16248958
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2092459
[2-(benzylamino)-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2346946
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 2371036
[2-Oxo-2-(2-phenylethylamino)ethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 7839571
[2-Oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16264032
[2-(Benzylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 4781337

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate (CID 2398642) is [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate is NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)/C=C/c2ccccc2Cl)cc1.
What is the InChIKey of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
The InChIKey is PSYSIQFSSCRIHD-JXMROGBWSA-N. The full InChI is InChI=1S/C19H19ClN2O5S/c20-17-4-2-1-3-15(17)7-10-19(24)27-13-18(23)22-12-11-14-5-8-16(9-6-14)28(21,25)26/h1-10H,11-13H2,(H,22,23)(H2,21,25,26)/b10-7+.
What are the key properties of [2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate?
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate has a molecular weight of 422.89 g/mol, XLogP of 1.90, 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] (E)-3-(2-chlorophenyl)prop-2-enoate is sourced from PubChem (CID 2398642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).