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

C26H26N2O3S — CID 71738660

IUPACN-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(CCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H26N2O3S/c1-31-25-11-5-6-20(17-25)14-15-27-19-21-7-4-10-24(16-21)28-32(29,30)26-13-12-22-8-2-3-9-23(22)18-26/h2-13,16-18,27-28H,14-15,19H2,1H3
InChIKeyHLQLPHNLCNXVDN-UHFFFAOYSA-N
MW446.57 g/mol
LogP4.98
Rot. Bonds9

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

N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide (PubChem CID 71738660) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
PubChem CID71738660
Molecular FormulaC26H26N2O3S
Molecular Weight446.57 g/mol
Exact Mass446.17
IUPAC NameN-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
SMILESCOc1cccc(CCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1
InChIInChI=1S/C26H26N2O3S/c1-31-25-11-5-6-20(17-25)14-15-27-19-21-7-4-10-24(16-21)28-32(29,30)26-13-12-22-8-2-3-9-23(22)18-26/h2-13,16-18,27-28H,14-15,19H2,1H3
InChIKeyHLQLPHNLCNXVDN-UHFFFAOYSA-N
XLogP4.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3-methoxyphenoxy)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738661
N-[3-[[3-(3-fluorophenoxy)propylamino]methyl]phenyl]naphthalene-2-sulfonamide
CID 71738589
N-[(3-methoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 52916342
N-[(3-methoxyphenyl)methyl]-3-(naphthalen-2-ylsulfonylamino)propanamide
CID 9495720
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
2-(3-methoxyphenyl)-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 177381530
N-(3-methylphenyl)naphthalene-2-sulfonamide
CID 965256
N-[(2-ethylphenyl)methyl]-2-(3-methoxyphenyl)ethanamine
CID 107850248
N-[3-[(N-ethylanilino)methyl]phenyl]naphthalene-2-sulfonamide
CID 71738586
2-(3,5-difluorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 62315705
3,4-dichloro-N-[2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3731467
2-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 39357471

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide (CID 71738660) is N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide is COc1cccc(CCNCc2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)c1.
What is the InChIKey of N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
The InChIKey is HLQLPHNLCNXVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-31-25-11-5-6-20(17-25)14-15-27-19-21-7-4-10-24(16-21)28-32(29,30)26-13-12-22-8-2-3-9-23(22)18-26/h2-13,16-18,27-28H,14-15,19H2,1H3.
What are the key properties of N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide?
N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide has a molecular weight of 446.57 g/mol, XLogP of 4.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxyphenyl)ethylamino]methyl]phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 71738660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).