ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate

C24H26N2O5S — CID 4572869

IUPACethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C=C(C)C)ccc2c1
InChIInChI=1S/C24H26N2O5S/c1-5-30-23(27)15-31-20-13-18-8-9-19(12-16(2)3)25-24(18)22(14-20)26-32(28,29)21-10-6-17(4)7-11-21/h6-14,26H,5,15H2,1-4H3
InChIKeyMWYIBGSOAYLDRH-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.71
Rot. Bonds8

About ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate

ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate (PubChem CID 4572869) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate
PubChem CID4572869
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Nameethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate
SMILESCCOC(=O)COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C=C(C)C)ccc2c1
InChIInChI=1S/C24H26N2O5S/c1-5-30-23(27)15-31-20-13-18-8-9-19(12-16(2)3)25-24(18)22(14-20)26-32(28,29)21-10-6-17(4)7-11-21/h6-14,26H,5,15H2,1-4H3
InChIKeyMWYIBGSOAYLDRH-UHFFFAOYSA-N
XLogP4.71
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-methyl-8-(2,2,2-trifluoroethylsulfonylamino)quinolin-6-yl]oxyacetate
CID 101112870
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
ethyl 2-[2-methyl-8-[(4-methylphenyl)sulfonyl-oxidoamino]quinolin-6-yl]oxyacetate
CID 118455351
ethyl 2-[4-[(2-ethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126143243
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
ethyl 2-[4-[[(2S)-butan-2-yl]sulfamoyl]phenoxy]acetate
CID 893339
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
N-[6-(3,5-difluorophenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
CID 118873481
ethyl 4-[2-[4-[(2,5-dimethylphenyl)sulfamoyl]phenoxy]acetyl]piperazine-1-carboxylate
CID 3905108

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate?
The IUPAC name of ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate (CID 4572869) is ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate?
The canonical SMILES for ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate is CCOC(=O)COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2nc(C=C(C)C)ccc2c1.
What is the InChIKey of ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate?
The InChIKey is MWYIBGSOAYLDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-5-30-23(27)15-31-20-13-18-8-9-19(12-16(2)3)25-24(18)22(14-20)26-32(28,29)21-10-6-17(4)7-11-21/h6-14,26H,5,15H2,1-4H3.
What are the key properties of ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate?
ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate has a molecular weight of 454.55 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[8-[(4-methylphenyl)sulfonylamino]-2-(2-methylprop-1-enyl)quinolin-6-yl]oxyacetate is sourced from PubChem (CID 4572869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).