[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate

C22H24N2O6S2 — CID 55705125

IUPAC[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H24N2O6S2/c1-31-12-11-19(24-32(28,29)17-5-3-2-4-6-17)22(27)30-14-20(25)16-7-9-18-15(13-16)8-10-21(26)23-18/h2-7,9,13,19,24H,8,10-12,14H2,1H3,(H,23,26)
InChIKeyPSSIVKYBPILYAR-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.40
Rot. Bonds10

About [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate

[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate (PubChem CID 55705125) has the molecular formula C22H24N2O6S2 and a molecular weight of 476.58 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
PubChem CID55705125
Molecular FormulaC22H24N2O6S2
Molecular Weight476.58 g/mol
Exact Mass476.11
IUPAC Name[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
SMILESCSCCC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H24N2O6S2/c1-31-12-11-19(24-32(28,29)17-5-3-2-4-6-17)22(27)30-14-20(25)16-7-9-18-15(13-16)8-10-21(26)23-18/h2-7,9,13,19,24H,8,10-12,14H2,1H3,(H,23,26)
InChIKeyPSSIVKYBPILYAR-UHFFFAOYSA-N
XLogP2.40
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982750
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
[2-(dimethylamino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982744
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982765
[2-(4-methoxyphenyl)-2-oxoethyl] (2R)-2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404524
[2-(2,6-dimethylanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 2409511
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-[(2-phenylacetyl)amino]acetate
CID 55365962
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]hexanoic acid
CID 16762964
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55324138
ethyl (2S)-4-methylsulfanyl-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]butanoate
CID 51497479
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55324115
[2-oxo-2-(2-oxo-1,3-dihydroindol-5-yl)ethyl] (2S)-2-benzamidopropanoate
CID 8753386

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The IUPAC name of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate (CID 55705125) is [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The canonical SMILES for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate is CSCCC(NS(=O)(=O)c1ccccc1)C(=O)OCC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
The InChIKey is PSSIVKYBPILYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O6S2/c1-31-12-11-19(24-32(28,29)17-5-3-2-4-6-17)22(27)30-14-20(25)16-7-9-18-15(13-16)8-10-21(26)23-18/h2-7,9,13,19,24H,8,10-12,14H2,1H3,(H,23,26).
What are the key properties of [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate?
[2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate has a molecular weight of 476.58 g/mol, XLogP of 2.40, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate is sourced from PubChem (CID 55705125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).