1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone

C26H29NO6S — CID 164977646

IUPAC1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
SMILESCOc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@](C)(OC)CO1
InChIInChI=1S/C26H29NO6S/c1-17-9-12-22(31-4)20(13-17)26(15-25(3,32-5)16-33-26)24(28)14-34(29,30)23-8-6-7-21-19(23)11-10-18(2)27-21/h6-13H,14-16H2,1-5H3/t25-,26+/m0/s1
InChIKeyFAAXASVACPVMQL-IZZNHLLZSA-N
MW483.59 g/mol
LogP3.92
Rot. Bonds7

About 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone

1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone (PubChem CID 164977646) has the molecular formula C26H29NO6S and a molecular weight of 483.59 g/mol. Its IUPAC name is 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
PubChem CID164977646
Molecular FormulaC26H29NO6S
Molecular Weight483.59 g/mol
Exact Mass483.17
IUPAC Name1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
SMILESCOc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@](C)(OC)CO1
InChIInChI=1S/C26H29NO6S/c1-17-9-12-22(31-4)20(13-17)26(15-25(3,32-5)16-33-26)24(28)14-34(29,30)23-8-6-7-21-19(23)11-10-18(2)27-21/h6-13H,14-16H2,1-5H3/t25-,26+/m0/s1
InChIKeyFAAXASVACPVMQL-IZZNHLLZSA-N
XLogP3.92
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone 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

1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165072548
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 164571477
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(2-methoxypyrimidin-5-yl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571398
trans-(1R,2S)-1-(2-methoxy-5-methylphenyl)-2-(5-methoxy-3-pyridinyl)-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 164571492
trans-(1S,2R)-1-(2-methoxy-5-methylphenyl)-N-(2-methylquinolin-5-yl)sulfonyl-2-(6-propan-2-yl-3-pyridinyl)cyclopropane-1-carboxamide
CID 164571498
3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
CID 175762350
3-(2-aminoquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
CID 172846454
(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
CID 164571549
methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
methyl 4-hydroxy-2-(2-methoxy-5-methylphenyl)-4-(2-methoxyphenyl)oxolane-2-carboxylate
CID 175762346
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone (CID 164977646) is 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone.
What is the SMILES notation for 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The canonical SMILES for 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone is COc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@](C)(OC)CO1.
What is the InChIKey of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The InChIKey is FAAXASVACPVMQL-IZZNHLLZSA-N. The full InChI is InChI=1S/C26H29NO6S/c1-17-9-12-22(31-4)20(13-17)26(15-25(3,32-5)16-33-26)24(28)14-34(29,30)23-8-6-7-21-19(23)11-10-18(2)27-21/h6-13H,14-16H2,1-5H3/t25-,26+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone has a molecular weight of 483.59 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone is sourced from PubChem (CID 164977646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).