N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide

C26H26N2O4S — CID 71738661

IUPACN-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(OCCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H26N2O4S/c1-31-24-10-5-11-25(18-24)32-15-14-27-19-20-6-4-9-23(16-20)28-33(29,30)26-13-12-21-7-2-3-8-22(21)17-26/h2-13,16-18,27-28H,14-15,19H2,1H3
InChIKeyKTGFUFPNPCINGN-UHFFFAOYSA-N
MW462.57 g/mol
LogP4.82
Rot. Bonds10

About N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide

N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 71738661) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID71738661
Molecular FormulaC26H26N2O4S
Molecular Weight462.57 g/mol
Exact Mass462.16
IUPAC NameN-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(OCCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H26N2O4S/c1-31-24-10-5-11-25(18-24)32-15-14-27-19-20-6-4-9-23(16-20)28-33(29,30)26-13-12-21-7-2-3-8-22(21)17-26/h2-13,16-18,27-28H,14-15,19H2,1H3
InChIKeyKTGFUFPNPCINGN-UHFFFAOYSA-N
XLogP4.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.57
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide 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

N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738660
N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738589
2-(3-methoxyphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 86854917
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
CID 71738586
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 37148868
2-(4-methoxyphenoxy)-N-[(3-nitrophenyl)methyl]ethanamine
CID 51244377
N-[3-[[2-(1H-indol-4-yloxy)ethylamino]methyl]phenyl]-3-methylbenzenesulfonamide
CID 71737933
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
N-[3-(2-methoxyethoxy)phenyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 55960607
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide (CID 71738661) is N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide is COc1cccc(OCCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is KTGFUFPNPCINGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-31-24-10-5-11-25(18-24)32-15-14-27-19-20-6-4-9-23(16-20)28-33(29,30)26-13-12-21-7-2-3-8-22(21)17-26/h2-13,16-18,27-28H,14-15,19H2,1H3.
What are the key properties of N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 462.57 g/mol, XLogP of 4.82, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71738661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).