3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide

C20H24N2O3S — CID 110342768

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)21-20(23)8-10-26(24,25)22-9-7-17-5-3-4-6-18(17)14-22/h3-6,11-13H,7-10,14H2,1-2H3,(H,21,23)
InChIKeyAKGCYPJXNJBUMM-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.02
Rot. Bonds5

About 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide (PubChem CID 110342768) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide
PubChem CID110342768
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)21-20(23)8-10-26(24,25)22-9-7-17-5-3-4-6-18(17)14-22/h3-6,11-13H,7-10,14H2,1-2H3,(H,21,23)
InChIKeyAKGCYPJXNJBUMM-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(4-fluorophenyl)propanamide
CID 110342779
N-(1,3-benzodioxol-5-yl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342798
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide
CID 16809503
N-(2-cyanophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propanamide
CID 110342802
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(3,4-dimethylphenyl)propanamide
CID 110343084
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 110342745
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 52998055
2-(2,3-dihydroindol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 22199883
2-(3-chloropropylsulfonyl)-3,4-dihydro-1H-isoquinoline
CID 28704624
N-(4-bromophenyl)-3-(4-methylpiperazin-1-yl)sulfonylpropanamide
CID 110343215

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide (CID 110342768) is 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCS(=O)(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is AKGCYPJXNJBUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)21-20(23)8-10-26(24,25)22-9-7-17-5-3-4-6-18(17)14-22/h3-6,11-13H,7-10,14H2,1-2H3,(H,21,23).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide?
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 372.49 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 110342768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).