4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline

C21H23N3O3S — CID 143411869

IUPAC4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
SMILES[H]/N=C(\c1cc(OCCN(C)C)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O3S/c1-24(2)12-13-27-16-10-11-19(22)18(14-16)21(23)28(25,26)20-9-5-7-15-6-3-4-8-17(15)20/h3-11,14,23H,12-13,22H2,1-2H3/b23-21+
InChIKeyIZQOIWVGZBGLGK-XTQSDGFTSA-N
MW397.50 g/mol
LogP3.16
Rot. Bonds6

About 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline

4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline (PubChem CID 143411869) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
PubChem CID143411869
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
SMILES[H]/N=C(\c1cc(OCCN(C)C)ccc1N)S(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C21H23N3O3S/c1-24(2)12-13-27-16-10-11-19(22)18(14-16)21(23)28(25,26)20-9-5-7-15-6-3-4-8-17(15)20/h3-11,14,23H,12-13,22H2,1-2H3/b23-21+
InChIKeyIZQOIWVGZBGLGK-XTQSDGFTSA-N
XLogP3.16
TPSA96.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline 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

4-(2-aminoethoxy)-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 143411833
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 89378484
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-nitroaniline
CID 143426593
4-(1-butylpiperidin-4-yl)oxy-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline
CID 89374669
4-[2-(diethylamino)ethoxy]-N-methyl-2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]aniline
CID 143411810
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-N-(piperidin-4-ylmethyl)benzene-1,4-diamine
CID 143426554
ethyl 2-amino-5-[2-(dimethylamino)ethoxy]benzoate
CID 61306548
2-[C-(methylidene-naphthalen-1-yl-oxo-λ6-sulfanyl)carbonimidoyl]-4-(1-methylpiperidin-3-yl)oxyaniline
CID 143426556
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
N,N-dimethyl-4-[(3-naphthalen-1-ylsulfonyl-2H-indazol-5-yl)oxy]butan-1-amine
CID 68679888
N,N-dimethyl-3-[(3-naphthalen-1-ylsulfonyl-1H-isoindol-5-yl)oxy]propan-1-amine
CID 153112192
ethyl 2-amino-5-[3-(dimethylamino)propoxy]benzoate
CID 61307433

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline (CID 143411869) is 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline is [H]/N=C(\c1cc(OCCN(C)C)ccc1N)S(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
The InChIKey is IZQOIWVGZBGLGK-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-24(2)12-13-27-16-10-11-19(22)18(14-16)21(23)28(25,26)20-9-5-7-15-6-3-4-8-17(15)20/h3-11,14,23H,12-13,22H2,1-2H3/b23-21+.
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline?
4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline has a molecular weight of 397.50 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)aniline is sourced from PubChem (CID 143411869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).