2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide

C20H21N3O3S — CID 9084353

IUPAC2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-23(2)27(25,26)17-10-6-9-16(13-17)21-14-20(24)22-19-12-5-8-15-7-3-4-11-18(15)19/h3-13,21H,14H2,1-2H3,(H,22,24)
InChIKeyZQWBLYSQKIUCMY-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.14
Rot. Bonds6

About 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide

2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide (PubChem CID 9084353) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
PubChem CID9084353
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1
InChIInChI=1S/C20H21N3O3S/c1-23(2)27(25,26)17-10-6-9-16(13-17)21-14-20(24)22-19-12-5-8-15-7-3-4-11-18(15)19/h3-13,21H,14H2,1-2H3,(H,22,24)
InChIKeyZQWBLYSQKIUCMY-UHFFFAOYSA-N
XLogP3.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide 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

2-(3-methylsulfonylanilino)-N-naphthalen-1-ylacetamide
CID 37229648
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-methylanilino)acetamide
CID 51178270
N-(3,5-dimethylphenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 4879510
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
3-(dimethylsulfamoyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzamide
CID 2504240
N-(3,4-difluorophenyl)-2-[3-(dimethylsulfamoyl)anilino]acetamide
CID 9084347
2-(3,4-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 9098781
N-[3-(dimethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26654058
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-piperidin-1-ylsulfonylanilino)acetamide
CID 16553103
2-(2,5-dichloroanilino)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 26416969
2-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]-N-(2-ethylphenyl)acetamide
CID 8628422
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methylindol-1-yl)acetamide
CID 26689900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide (CID 9084353) is 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide is CN(C)S(=O)(=O)c1cccc(NCC(=O)Nc2cccc3ccccc23)c1.
What is the InChIKey of 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide?
The InChIKey is ZQWBLYSQKIUCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23(2)27(25,26)17-10-6-9-16(13-17)21-14-20(24)22-19-12-5-8-15-7-3-4-11-18(15)19/h3-13,21H,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide?
2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide has a molecular weight of 383.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylsulfamoyl)anilino]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 9084353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).