N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide

C20H20N2O3S — CID 3938895

IUPACN-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
SMILESCN(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)18-10-8-17(9-11-18)21-20(23)14-26(24,25)19-12-7-15-5-3-4-6-16(15)13-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyJERUKFSIIKCTFO-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.32
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide

N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide (PubChem CID 3938895) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
PubChem CID3938895
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide
SMILESCN(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H20N2O3S/c1-22(2)18-10-8-17(9-11-18)21-20(23)14-26(24,25)19-12-7-15-5-3-4-6-16(15)13-19/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyJERUKFSIIKCTFO-UHFFFAOYSA-N
XLogP3.32
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-tert-butylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 4046357
N-(4-bromo-3-methylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3404538
N-(3-fluorophenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3925269
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
N-[6-(dimethylamino)naphthalen-2-yl]-2-(methylsulfamoyl)acetamide
CID 122153685
N-(2,3-dimethylphenyl)-2-naphthalen-2-ylsulfonylacetamide
CID 3892636
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-naphthalen-2-ylsulfonyl-N-(1,2,4-triazol-4-yl)acetamide
CID 3938080
N-(4-methyl-1,3-thiazol-2-yl)-2-naphthalen-2-ylsulfonylacetamide
CID 1041797
2-(4-methoxyphenyl)sulfonyl-N-phenylacetamide
CID 15451751
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
N,N-diethyl-2-naphthalen-2-ylsulfonylacetamide
CID 56731913

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide (CID 3938895) is N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide is CN(C)c1ccc(NC(=O)CS(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
The InChIKey is JERUKFSIIKCTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-22(2)18-10-8-17(9-11-18)21-20(23)14-26(24,25)19-12-7-15-5-3-4-6-16(15)13-19/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide?
N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide has a molecular weight of 368.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-naphthalen-2-ylsulfonylacetamide is sourced from PubChem (CID 3938895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).