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

C25H30N2O3S — CID 10365873

IUPACN-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
SMILESCCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-3-27(31(28,29)25-11-6-9-20-8-4-5-10-24(20)25)16-7-15-26-17-14-21-18-23(30-2)13-12-22(21)19-26/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3
InChIKeyVIHWGEIFRYBTRT-UHFFFAOYSA-N
MW438.59 g/mol
LogP4.31
Rot. Bonds8

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

N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide (PubChem CID 10365873) has the molecular formula C25H30N2O3S and a molecular weight of 438.59 g/mol. Its IUPAC name is N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
PubChem CID10365873
Molecular FormulaC25H30N2O3S
Molecular Weight438.59 g/mol
Exact Mass438.20
IUPAC NameN-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide
SMILESCCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C25H30N2O3S/c1-3-27(31(28,29)25-11-6-9-20-8-4-5-10-24(20)25)16-7-15-26-17-14-21-18-23(30-2)13-12-22(21)19-26/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3
InChIKeyVIHWGEIFRYBTRT-UHFFFAOYSA-N
XLogP4.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.59
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(Phenylsulfonyl)-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412616
2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 753266
1-(6-Ethoxynaphthalen-2-yl)sulfonylpiperidine
CID 786091
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
6,7-Dimethoxy-2-(4-methoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline
CID 1072691
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
FR-226928 free base
CID 10007341
2-(Naphthalene-1-sulfonyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)phenyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10414598
2-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44412617
1,1'-[(2-Methoxy-1,6-naphthalenediyl)disulfonyl]dipiperidine
CID 1242000
N-Ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-4-methyl-benzenesulfonamide
CID 10024070
N-[3-(6-Methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-propyl]-4-methyl-benzenesulfonamide
CID 11257340

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The IUPAC name of N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide (CID 10365873) is N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide is CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
The InChIKey is VIHWGEIFRYBTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3S/c1-3-27(31(28,29)25-11-6-9-20-8-4-5-10-24(20)25)16-7-15-26-17-14-21-18-23(30-2)13-12-22(21)19-26/h4-6,8-13,18H,3,7,14-17,19H2,1-2H3.
What are the key properties of N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide?
N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide has a molecular weight of 438.59 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 10365873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).