2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide

C17H24N2O5S — CID 124917947

IUPAC2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
SMILESCO[C@@H]1Cc2ccccc2N(C(=O)CS(=O)(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C17H24N2O5S/c1-23-15-9-13-5-2-3-7-16(13)19(11-15)17(20)12-25(21,22)18-10-14-6-4-8-24-14/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyDGIDYVRANLRPDX-HUUCEWRRSA-N
MW368.46 g/mol
LogP0.69
Rot. Bonds6

About 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide

2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide (PubChem CID 124917947) has the molecular formula C17H24N2O5S and a molecular weight of 368.46 g/mol. Its IUPAC name is 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
PubChem CID124917947
Molecular FormulaC17H24N2O5S
Molecular Weight368.46 g/mol
Exact Mass368.14
IUPAC Name2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
SMILESCO[C@@H]1Cc2ccccc2N(C(=O)CS(=O)(=O)NC[C@H]2CCCO2)C1
InChIInChI=1S/C17H24N2O5S/c1-23-15-9-13-5-2-3-7-16(13)19(11-15)17(20)12-25(21,22)18-10-14-6-4-8-24-14/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3/t14-,15-/m1/s1
InChIKeyDGIDYVRANLRPDX-HUUCEWRRSA-N
XLogP0.69
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide with MolForge

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Related Compounds

N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-[2-(oxolan-2-yl)acetyl]-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902142
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439765
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-N-(oxolan-2-ylmethyl)propanamide
CID 108943685
2-(oxolan-2-ylmethylsulfamoyl)acetic acid
CID 43209527
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2S)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048261
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]ethanone
CID 94048263
oxolan-2-ylmethyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
CID 166200594
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate
CID 42981628
4-oxo-4-[5-(oxolan-2-ylmethylsulfamoyl)-2,3-dihydroindol-1-yl]butanoic acid
CID 20864301
1-(cyclopropanecarbonyl)-N-(oxolan-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 15996296
1-[(3R)-1,3-dimethyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-[(2S)-oxolan-2-yl]propan-1-one
CID 96569671

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The IUPAC name of 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide (CID 124917947) is 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide is CO[C@@H]1Cc2ccccc2N(C(=O)CS(=O)(=O)NC[C@H]2CCCO2)C1.
What is the InChIKey of 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
The InChIKey is DGIDYVRANLRPDX-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O5S/c1-23-15-9-13-5-2-3-7-16(13)19(11-15)17(20)12-25(21,22)18-10-14-6-4-8-24-14/h2-3,5,7,14-15,18H,4,6,8-12H2,1H3/t14-,15-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide?
2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 124917947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).