methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate

C23H28ClN3O5S — CID 25118183

IUPACmethyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-15(2)13-21(27-12-4-5-16-14-17(24)6-11-20(16)27)22(28)25-18-7-9-19(10-8-18)33(30,31)26-23(29)32-3/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyVKGYBRBXQDKZIE-NRFANRHFSA-N
MW494.01 g/mol
LogP4.19
Rot. Bonds7

About methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate

methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate (PubChem CID 25118183) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate
PubChem CID25118183
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC Namemethyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2CCCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C23H28ClN3O5S/c1-15(2)13-21(27-12-4-5-16-14-17(24)6-11-20(16)27)22(28)25-18-7-9-19(10-8-18)33(30,31)26-23(29)32-3/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,25,28)(H,26,29)/t21-/m0/s1
InChIKeyVKGYBRBXQDKZIE-NRFANRHFSA-N
XLogP4.19
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate 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

methyl N-[4-[[(2R)-2-(8-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 161433660
methyl N-[4-[[(2S)-2-(6-chloroindol-1-yl)propanoyl]amino]phenyl]sulfonylcarbamate
CID 25117821
methyl N-[4-[(3S)-3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-2-oxopyrrolidin-1-yl]phenyl]sulfonylcarbamate;molecular hydrogen
CID 157382543
methyl N-[4-[[(2S)-2-(4-fluoroindol-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate;molecular hydrogen
CID 158855980
methyl N-[4-[[2-[(2R)-6-chloro-1,2,3,4-tetrahydroquinolin-2-yl]-4-hydroxybutanoyl]amino]phenyl]sulfonylcarbamate
CID 68723116
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
N-[4-[(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)sulfamoyl]phenyl]-2-methylpropanamide
CID 27656182
4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]benzenesulfonamide;methyl N-[4-[4-[(2R)-2-(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonylcarbamate
CID 161493900
N-[4-[4-[(2R)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)propanoyl]piperazin-1-yl]phenyl]sulfonyl-3-iminobutanamide
CID 91526724
4-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-hydroxy-N-phenylbutanamide
CID 175260029
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 82473511
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate?
The IUPAC name of methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate (CID 25118183) is methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate.
What is the SMILES notation for methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate?
The canonical SMILES for methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate is COC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@H](CC(C)C)N2CCCc3cc(Cl)ccc32)cc1.
What is the InChIKey of methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate?
The InChIKey is VKGYBRBXQDKZIE-NRFANRHFSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-15(2)13-21(27-12-4-5-16-14-17(24)6-11-20(16)27)22(28)25-18-7-9-19(10-8-18)33(30,31)26-23(29)32-3/h6-11,14-15,21H,4-5,12-13H2,1-3H3,(H,25,28)(H,26,29)/t21-/m0/s1.
What are the key properties of methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate?
methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate has a molecular weight of 494.01 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[(2S)-2-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-4-methylpentanoyl]amino]phenyl]sulfonylcarbamate is sourced from PubChem (CID 25118183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).