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

C25H27NO6S — CID 165072548

IUPAC1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
SMILESCOc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@H](OC)CO1
InChIInChI=1S/C25H27NO6S/c1-16-8-11-22(31-4)20(12-16)25(13-18(30-3)14-32-25)24(27)15-33(28,29)23-7-5-6-21-19(23)10-9-17(2)26-21/h5-12,18H,13-15H2,1-4H3/t18-,25+/m0/s1
InChIKeySZUXWRBNZPONFA-AVRWGWEMSA-N
MW469.56 g/mol
LogP3.53
Rot. Bonds7

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

1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone (PubChem CID 165072548) has the molecular formula C25H27NO6S and a molecular weight of 469.56 g/mol. Its IUPAC name is 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
PubChem CID165072548
Molecular FormulaC25H27NO6S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC Name1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
SMILESCOc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@H](OC)CO1
InChIInChI=1S/C25H27NO6S/c1-16-8-11-22(31-4)20(12-16)25(13-18(30-3)14-32-25)24(27)15-33(28,29)23-7-5-6-21-19(23)10-9-17(2)26-21/h5-12,18H,13-15H2,1-4H3/t18-,25+/m0/s1
InChIKeySZUXWRBNZPONFA-AVRWGWEMSA-N
XLogP3.53
TPSA91.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)-4-methyloxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 164977646
1-[(1S,2R)-2-(6-chloro-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropyl]-2-(2-methylquinolin-5-yl)sulfonylethanone
CID 165001907
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-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 164571477
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-aminoquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
CID 172846454
3-(2-chloroquinolin-5-yl)sulfonyl-2-(2-methoxy-5-methylphenyl)-4-phenyloxolane-2-carboxamide
CID 175762350
(2R)-2-(2-ethoxy-5-ethylphenyl)-N-(2-methylquinolin-5-yl)sulfonyloxolane-2-carboxamide
CID 164571549
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308
cis-(1S,2S)-2-(2,6-dimethoxy-3-pyridinyl)-1-hydroxy-N-(2-methylquinolin-5-yl)sulfonylcyclopropane-1-carboxamide
CID 167151892
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The IUPAC name of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone (CID 165072548) is 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone.
What is the SMILES notation for 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The canonical SMILES for 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone is COc1ccc(C)cc1[C@@]1(C(=O)CS(=O)(=O)c2cccc3nc(C)ccc23)C[C@H](OC)CO1.
What is the InChIKey of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
The InChIKey is SZUXWRBNZPONFA-AVRWGWEMSA-N. The full InChI is InChI=1S/C25H27NO6S/c1-16-8-11-22(31-4)20(12-16)25(13-18(30-3)14-32-25)24(27)15-33(28,29)23-7-5-6-21-19(23)10-9-17(2)26-21/h5-12,18H,13-15H2,1-4H3/t18-,25+/m0/s1.
What are the key properties of 1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone?
1-[(2R,4S)-4-methoxy-2-(2-methoxy-5-methylphenyl)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone has a molecular weight of 469.56 g/mol, XLogP of 3.53, 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)oxolan-2-yl]-2-(2-methylquinolin-5-yl)sulfonylethanone is sourced from PubChem (CID 165072548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).