N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide

C20H24N2O3S — CID 1085935

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-3-16-8-6-7-11-19(16)22(26(2,24)25)15-20(23)21-13-12-17-9-4-5-10-18(17)14-21/h4-11H,3,12-15H2,1-2H3
InChIKeyJALJERDYWWNPBY-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.60
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide (PubChem CID 1085935) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
PubChem CID1085935
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide
SMILESCCc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
InChIInChI=1S/C20H24N2O3S/c1-3-16-8-6-7-11-19(16)22(26(2,24)25)15-20(23)21-13-12-17-9-4-5-10-18(17)14-21/h4-11H,3,12-15H2,1-2H3
InChIKeyJALJERDYWWNPBY-UHFFFAOYSA-N
XLogP2.60
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-Acetylpiperazin-1-Yl)benzyl]-N-(2-Methylpropyl)-1-Phenylmethanesulfonamide
CID 86346645
N-(2-methyl-1-propanoyl-3,4-dihydro-2H-quinolin-4-yl)-N-phenylpropanamide
CID 3103979
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 999998
2-[cyclohexyl(methylsulfonyl)amino]-N-(2-ethylphenyl)acetamide
CID 848403
N-[2-(4-benzyl-1-piperazinyl)-2-oxoethyl]-N-(3-fluorophenyl)methanesulfonamide
CID 989253
N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-N-(4-methylphenyl)methanesulfonamide
CID 1000778
N-[2-(4-Benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-isopropyl-phenyl)-methanesulfonamide
CID 1135728
1-(2,3-dihydroindol-1-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2816386
N-(2-Azepan-1-yl-2-oxo-ethyl)-N-o-tolyl-methanesulfonamide
CID 2898569
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylphenyl)acetamide
CID 6468687
1-[3,4-dihydroquinolin-1(2H)-yl(oxo)acetyl]-1,2,3,4-tetrahydroquinoline
CID 583500
N-[(2R,4S)-2-methyl-1-(1-oxopropyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylacetamide
CID 658600

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide (CID 1085935) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide is CCc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
The InChIKey is JALJERDYWWNPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-16-8-6-7-11-19(16)22(26(2,24)25)15-20(23)21-13-12-17-9-4-5-10-18(17)14-21/h4-11H,3,12-15H2,1-2H3.
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-N-(2-ethylphenyl)methanesulfonamide is sourced from PubChem (CID 1085935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).