N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide

C20H24N2O3S — CID 16809503

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)20(23)21-8-10-26(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)
InChIKeyMUABCCLYSJBSLD-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide (PubChem CID 16809503) 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-ylsulfonyl)ethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide
PubChem CID16809503
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)20(23)21-8-10-26(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)
InChIKeyMUABCCLYSJBSLD-UHFFFAOYSA-N
XLogP2.42
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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-methoxybenzamide
CID 7601105
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2,6-difluorobenzamide
CID 16809508
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3,5-dimethylphenyl)propanamide
CID 110342768
N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-3,4-difluorobenzamide
CID 27377352
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 16809520
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16809519
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 16826988
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-propylbenzamide
CID 32736672
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(3-methylphenyl)propanamide
CID 110342760
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 16809529
2-(4-chlorophenoxy)-N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-methylpropanamide
CID 20934116

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide (CID 16809503) is N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide?
The InChIKey is MUABCCLYSJBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15-11-16(2)13-19(12-15)20(23)21-8-10-26(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 N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3,5-dimethylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 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-ylsulfonyl)ethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 16809503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).