N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide

C34H32N2O4S — CID 162649044

IUPACN-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cc1)CC2
InChIInChI=1S/C34H32N2O4S/c1-39-32-20-28-18-19-36(23-29(28)21-33(32)40-2)22-24-10-12-25(13-11-24)26-14-16-30(17-15-26)35-41(37,38)34-9-5-7-27-6-3-4-8-31(27)34/h3-17,20-21,35H,18-19,22-23H2,1-2H3
InChIKeyNYTDQCWYKZDPLY-UHFFFAOYSA-N
MW564.71 g/mol
LogP6.88
Rot. Bonds8

About N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide

N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide (PubChem CID 162649044) has the molecular formula C34H32N2O4S and a molecular weight of 564.71 g/mol. Its IUPAC name is N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide
PubChem CID162649044
Molecular FormulaC34H32N2O4S
Molecular Weight564.71 g/mol
Exact Mass564.21
IUPAC NameN-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cc1)CC2
InChIInChI=1S/C34H32N2O4S/c1-39-32-20-28-18-19-36(23-29(28)21-33(32)40-2)22-24-10-12-25(13-11-24)26-14-16-30(17-15-26)35-41(37,38)34-9-5-7-27-6-3-4-8-31(27)34/h3-17,20-21,35H,18-19,22-23H2,1-2H3
InChIKeyNYTDQCWYKZDPLY-UHFFFAOYSA-N
XLogP6.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.71
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide?
The IUPAC name of N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide (CID 162649044) is N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide is COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)cc1)CC2.
What is the InChIKey of N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide?
The InChIKey is NYTDQCWYKZDPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4S/c1-39-32-20-28-18-19-36(23-29(28)21-33(32)40-2)22-24-10-12-25(13-11-24)26-14-16-30(17-15-26)35-41(37,38)34-9-5-7-27-6-3-4-8-31(27)34/h3-17,20-21,35H,18-19,22-23H2,1-2H3.
What are the key properties of N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide?
N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide has a molecular weight of 564.71 g/mol, XLogP of 6.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 162649044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).