trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

C24H26N2O5S — CID 68819595

IUPACtrans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26-23-9-5-3-7-21(23)24(27)28/h2,4,6,8,10-14,21,23,26H,3,5,7,9,15H2,1H3,(H,27,28)/t21-,23-/m1/s1
InChIKeyRTMLESGGYFCHIZ-FYYLOGMGSA-N
MW454.55 g/mol
LogP4.04
Rot. Bonds7

About trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (PubChem CID 68819595) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
PubChem CID68819595
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Nametrans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid
SMILESCc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H26N2O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26-23-9-5-3-7-21(23)24(27)28/h2,4,6,8,10-14,21,23,26H,3,5,7,9,15H2,1H3,(H,27,28)/t21-,23-/m1/s1
InChIKeyRTMLESGGYFCHIZ-FYYLOGMGSA-N
XLogP4.04
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(3S,4R)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxylic acid
CID 68817366
1-acetyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68818825
1-formyl-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 87586652
(3R,4R)-1-(ethylcarbamoyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylic acid
CID 68817241
cis-(1R,2S)-2-[methyl-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxylic acid
CID 68820136
N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxamide
CID 73127838
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]oxolane-3-carboxamide
CID 11855328
(3S,4S)-N-hydroxy-1-(2-hydroxyethyl)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-3-carboxamide
CID 87586620
tert-butyl (3S,4S)-4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]pyrrolidine-3-carboxylate;hydrochloride
CID 68818815
1-O-tert-butyl 3-O-methyl 4-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]piperidine-1,3-dicarboxylate
CID 68817316
(3S)-3-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]morpholine-2-carboxylic acid
CID 150901889
cis-(1R,2R)-1-fluoro-N-[(2-methylpropan-2-yl)oxy]-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclopentane-1-carboxamide
CID 86607911

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid (CID 68819595) is trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RTMLESGGYFCHIZ-FYYLOGMGSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-16-14-17(20-6-2-4-8-22(20)25-16)15-31-18-10-12-19(13-11-18)32(29,30)26-23-9-5-3-7-21(23)24(27)28/h2,4,6,8,10-14,21,23,26H,3,5,7,9,15H2,1H3,(H,27,28)/t21-,23-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid?
trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid has a molecular weight of 454.55 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]sulfonylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 68819595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).