ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate

C20H23N3O5S — CID 99788913

IUPACethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCCOC(=O)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O5S/c1-2-28-20(25)17-11-12-23(18-6-4-3-5-16(17)18)13-19(24)22-14-7-9-15(10-8-14)29(21,26)27/h3-10,17H,2,11-13H2,1H3,(H,22,24)(H2,21,26,27)/t17-/m0/s1
InChIKeyLVUHACFWZLALTH-KRWDZBQOSA-N
MW417.49 g/mol
LogP1.83
Rot. Bonds6

About ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate

ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate (PubChem CID 99788913) has the molecular formula C20H23N3O5S and a molecular weight of 417.49 g/mol. Its IUPAC name is ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate
PubChem CID99788913
Molecular FormulaC20H23N3O5S
Molecular Weight417.49 g/mol
Exact Mass417.14
IUPAC Nameethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate
SMILESCCOC(=O)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21
InChIInChI=1S/C20H23N3O5S/c1-2-28-20(25)17-11-12-23(18-6-4-3-5-16(17)18)13-19(24)22-14-7-9-15(10-8-14)29(21,26)27/h3-10,17H,2,11-13H2,1H3,(H,22,24)(H2,21,26,27)/t17-/m0/s1
InChIKeyLVUHACFWZLALTH-KRWDZBQOSA-N
XLogP1.83
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-4-carboxylate
CID 24588628
ethyl 1-[3-oxo-3-(4-sulfamoylanilino)propyl]piperidine-3-carboxylate
CID 24588712
N-(4-ethoxyphenyl)-2-(3-methyl-2,3-dihydroindol-1-yl)acetamide
CID 78900025
ethyl 1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-4-carboxylate
CID 1213439
2-(azepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 732235
ethyl (4S)-1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 99788915
1-[2-(4-methylanilino)-2-oxoethyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 16909772
ethyl (3R)-1-[(4-sulfamoylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 1289838
2-[(4-cyclooctyl-5-ethyl-2,3,4a,9b-tetrahydro-1H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 91248839
2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 20970585
ethyl 1-[(Z)-2-cyano-3-oxo-3-(4-sulfamoylanilino)prop-1-enyl]piperidine-3-carboxylate
CID 108841883
2-(4-benzyl-1,4-diazepan-1-yl)-N-(4-sulfamoylphenyl)acetamide
CID 16608527

Frequently Asked Questions

What is the IUPAC name of ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate?
The IUPAC name of ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate (CID 99788913) is ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate.
What is the SMILES notation for ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate?
The canonical SMILES for ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate is CCOC(=O)[C@H]1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21.
What is the InChIKey of ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate?
The InChIKey is LVUHACFWZLALTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O5S/c1-2-28-20(25)17-11-12-23(18-6-4-3-5-16(17)18)13-19(24)22-14-7-9-15(10-8-14)29(21,26)27/h3-10,17H,2,11-13H2,1H3,(H,22,24)(H2,21,26,27)/t17-/m0/s1.
What are the key properties of ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate?
ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate has a molecular weight of 417.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S)-1-[2-oxo-2-(4-sulfamoylanilino)ethyl]-3,4-dihydro-2H-quinoline-4-carboxylate is sourced from PubChem (CID 99788913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).