N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide

C20H26N2O2S — CID 35608543

IUPACN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-8-9-20(16(2)12-15)25(23,24)21-13-17(3)22-11-10-18-6-4-5-7-19(18)14-22/h4-9,12,17,21H,10-11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyUIJCWAPYSTUZSR-QGZVFWFLSA-N
MW358.51 g/mol
LogP3.03
Rot. Bonds5

About N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide (PubChem CID 35608543) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
PubChem CID35608543
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)c1
InChIInChI=1S/C20H26N2O2S/c1-15-8-9-20(16(2)12-15)25(23,24)21-13-17(3)22-11-10-18-6-4-5-7-19(18)14-22/h4-9,12,17,21H,10-11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyUIJCWAPYSTUZSR-QGZVFWFLSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]ethanesulfonamide
CID 94060161
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-fluorobenzenesulfonamide
CID 134006875
4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
CID 134006879
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 43956689
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propylsulfamoyl]benzamide
CID 134006882
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropan-2-amine
CID 55070081
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701696
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-ethoxy-5-methylbenzenesulfonamide
CID 16933372
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
2,5-dimethyl-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064565
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide (CID 35608543) is N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)c1.
What is the InChIKey of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide?
The InChIKey is UIJCWAPYSTUZSR-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-15-8-9-20(16(2)12-15)25(23,24)21-13-17(3)22-11-10-18-6-4-5-7-19(18)14-22/h4-9,12,17,21H,10-11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide?
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 35608543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).