N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide

C21H24N2O3S — CID 78873411

IUPACN-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)c2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-23(2)19(16-9-5-4-6-10-16)15-22-27(24,25)21-14-13-20(26-3)17-11-7-8-12-18(17)21/h4-14,19,22H,15H2,1-3H3
InChIKeyDZNYAPOPYYSVIE-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.43
Rot. Bonds7

About N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide

N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide (PubChem CID 78873411) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
PubChem CID78873411
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC NameN-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)c2ccccc12
InChIInChI=1S/C21H24N2O3S/c1-23(2)19(16-9-5-4-6-10-16)15-22-27(24,25)21-14-13-20(26-3)17-11-7-8-12-18(17)21/h4-14,19,22H,15H2,1-3H3
InChIKeyDZNYAPOPYYSVIE-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-phenylethyl)naphthalene-1-sulfonamide
CID 741442
N-[(2R)-2-(ethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide;hydrochloride
CID 120664583
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169698
4-methoxy-2,3-dimethyl-N-[(2R)-2-phenylpropyl]benzenesulfonamide
CID 100550950
N-[3-(diethylamino)propyl]-4-methoxynaphthalene-1-sulfonamide
CID 4914456
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 45003235
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 47025184
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
N-ethyl-2-[(4-methoxynaphthalen-1-yl)sulfonylamino]acetamide
CID 86985962
N-[2-(dimethylamino)-2-phenylethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61248522
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-4-methoxynaphthalene-1-sulfonamide
CID 55691585

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide (CID 78873411) is N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide is COc1ccc(S(=O)(=O)NCC(c2ccccc2)N(C)C)c2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide?
The InChIKey is DZNYAPOPYYSVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-23(2)19(16-9-5-4-6-10-16)15-22-27(24,25)21-14-13-20(26-3)17-11-7-8-12-18(17)21/h4-14,19,22H,15H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide?
N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-phenylethyl]-4-methoxynaphthalene-1-sulfonamide is sourced from PubChem (CID 78873411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).