(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide

C17H24N2O4S — CID 94670013

IUPAC(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H24N2O4S/c1-12(2)24(22,23)13(3)17(21)18-11-16(20)19-10-6-8-14-7-4-5-9-15(14)19/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyNMOHDMXGQOHUJL-CYBMUJFWSA-N
MW352.46 g/mol
LogP1.29
Rot. Bonds5

About (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide

(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 94670013) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID94670013
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)NCC(=O)N1CCCc2ccccc21
InChIInChI=1S/C17H24N2O4S/c1-12(2)24(22,23)13(3)17(21)18-11-16(20)19-10-6-8-14-7-4-5-9-15(14)19/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyNMOHDMXGQOHUJL-CYBMUJFWSA-N
XLogP1.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]propanamide;hydrochloride
CID 119302463
(2S)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-imidazol-1-ylpropanamide
CID 94669996
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3,3-diphenylpropanamide
CID 99217097
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-methylphenyl)sulfonylurea
CID 110370826
2-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-phenylpropanamide
CID 120590099
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 53125842
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methylsulfonylpropanamide
CID 110606116
N-[2-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 47714484
3-amino-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-phenylpropanamide
CID 119950519
4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54840833
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[3-[di(propan-2-yl)amino]propyl]-2-methylguanidine;hydroiodide
CID 111691721

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide (CID 94670013) is (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@H](C)C(=O)NCC(=O)N1CCCc2ccccc21.
What is the InChIKey of (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is NMOHDMXGQOHUJL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-12(2)24(22,23)13(3)17(21)18-11-16(20)19-10-6-8-14-7-4-5-9-15(14)19/h4-5,7,9,12-13H,6,8,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide?
(2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 94670013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).