N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide

C17H26N2O3S — CID 95907140

IUPACN-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide
SMILESC[C@@H]1CCc2ccccc2N1CCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14-8-9-15-6-4-5-7-16(15)19(14)11-10-17(20)18(2)12-13-23(3,21)22/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyJODYIYAZSRKINA-CQSZACIVSA-N
MW338.47 g/mol
LogP1.72
Rot. Bonds6

About N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide

N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide (PubChem CID 95907140) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide
PubChem CID95907140
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide
SMILESC[C@@H]1CCc2ccccc2N1CCC(=O)N(C)CCS(C)(=O)=O
InChIInChI=1S/C17H26N2O3S/c1-14-8-9-15-6-4-5-7-16(15)19(14)11-10-17(20)18(2)12-13-23(3,21)22/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyJODYIYAZSRKINA-CQSZACIVSA-N
XLogP1.72
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide with MolForge

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Related Compounds

2-[2-(dimethylamino)ethyl-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoyl]amino]acetic acid
CID 124689456
6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)hexan-3-one
CID 106801125
1-(4-aminopiperidin-1-yl)-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693452
N-(2-aminophenyl)-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide;dihydrochloride
CID 119422356
1-(1,1-dioxo-1,4-thiazinan-4-yl)-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 95906955
1-[(3S)-3-aminopyrrolidin-1-yl]-3-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 124693456
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 111539101
2-(methylamino)-4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butanoic acid
CID 63028897
methyl 2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 43089229
3-methyl-1-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-2-one
CID 79395357
N,N-diethyl-4-[3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]propanoylamino]benzamide
CID 95781097
N,N-bis(cyanomethyl)-3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanamide
CID 94824067

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide?
The IUPAC name of N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide (CID 95907140) is N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide?
The canonical SMILES for N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide is C[C@@H]1CCc2ccccc2N1CCC(=O)N(C)CCS(C)(=O)=O.
What is the InChIKey of N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide?
The InChIKey is JODYIYAZSRKINA-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-14-8-9-15-6-4-5-7-16(15)19(14)11-10-17(20)18(2)12-13-23(3,21)22/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide?
N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide has a molecular weight of 338.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2-methylsulfonylethyl)propanamide is sourced from PubChem (CID 95907140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).