2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

C19H23NO3S — CID 4914550

IUPAC2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c(C)c1C
InChIInChI=1S/C19H23NO3S/c1-4-23-18-9-10-19(15(3)14(18)2)24(21,22)20-12-11-16-7-5-6-8-17(16)13-20/h5-10H,4,11-13H2,1-3H3
InChIKeyVCYQATWEOCGCRT-UHFFFAOYSA-N
MW345.46 g/mol
LogP3.45
Rot. Bonds4

About 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (PubChem CID 4914550) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
PubChem CID4914550
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c(C)c1C
InChIInChI=1S/C19H23NO3S/c1-4-23-18-9-10-19(15(3)14(18)2)24(21,22)20-12-11-16-7-5-6-8-17(16)13-20/h5-10H,4,11-13H2,1-3H3
InChIKeyVCYQATWEOCGCRT-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,4-trimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 898460
1-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 43845462
2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline
CID 896528
2-(2-methyl-3-nitrophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 35288166
2-[3-chloro-4-(4-ethoxyphenoxy)phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 174519865
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-(2-ethoxy-4-methylphenyl)thiophene-2-carboxamide
CID 112846299
1-(4-ethoxynaphthalen-1-yl)sulfonyl-2,3-dihydroindole
CID 2956327
2-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 2059852
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N'-[2-(2-ethoxyphenoxy)acetyl]benzohydrazide
CID 16547816
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylaniline
CID 28511921
4-ethoxy-2,3-dimethylbenzenesulfonamide
CID 43164397
4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methoxyphenyl]-2-methyl-1,3-thiazole
CID 20974298

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline (CID 4914550) is 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is CCOc1ccc(S(=O)(=O)N2CCc3ccccc3C2)c(C)c1C.
What is the InChIKey of 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is VCYQATWEOCGCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-4-23-18-9-10-19(15(3)14(18)2)24(21,22)20-12-11-16-7-5-6-8-17(16)13-20/h5-10H,4,11-13H2,1-3H3.
What are the key properties of 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline?
2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 345.46 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-2,3-dimethylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4914550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).