N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide

C23H26N2O3S — CID 11475386

IUPACN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
SMILESCOc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C23H26N2O3S/c1-28-21-11-10-20-17-25(15-12-19(20)16-21)14-5-13-24-29(26,27)23-9-4-7-18-6-2-3-8-22(18)23/h2-4,6-11,16,24H,5,12-15,17H2,1H3
InChIKeyNIWXUQLICVVUGY-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.58
Rot. Bonds7

About N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide

N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide (PubChem CID 11475386) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
PubChem CID11475386
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
SMILESCOc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2
InChIInChI=1S/C23H26N2O3S/c1-28-21-11-10-20-17-25(15-12-19(20)16-21)14-5-13-24-29(26,27)23-9-4-7-18-6-2-3-8-22(18)23/h2-4,6-11,16,24H,5,12-15,17H2,1H3
InChIKeyNIWXUQLICVVUGY-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

FR-226928 free base
CID 10007341
2-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412617
N-Ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-4-methyl-benzenesulfonamide
CID 10024070
N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
CID 10365873
N-[[4-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclohexyl]methyl]naphthalene-1-sulfonamide
CID 10435289
N-[3-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-4-methyl-benzenesulfonamide
CID 11257340
N-[3-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-benzenesulfonamide
CID 11325873
N-Ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-benzenesulfonamide
CID 11372669
N-Ethyl-4-methoxy-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-benzenesulfonamide
CID 11384575
4-Methoxy-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-benzenesulfonamide
CID 11429236
N-[2-[4-[[(2,3-dimethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 44377440
N-[2-[4-[[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 44377450

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide (CID 11475386) is N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide is COc1ccc2c(c1)CCN(CCCNS(=O)(=O)c1cccc3ccccc13)C2.
What is the InChIKey of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The InChIKey is NIWXUQLICVVUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-28-21-11-10-20-17-25(15-12-19(20)16-21)14-5-13-24-29(26,27)23-9-4-7-18-6-2-3-8-22(18)23/h2-4,6-11,16,24H,5,12-15,17H2,1H3.
What are the key properties of N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide has a molecular weight of 410.54 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 11475386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).