methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate

C20H19NO4S — CID 100530154

IUPACmethyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4S/c1-15-7-3-6-10-19(15)21(14-20(22)25-2)26(23,24)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,14H2,1-2H3
InChIKeySAIFZLVXQAXONA-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.52
Rot. Bonds5

About methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate

methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate (PubChem CID 100530154) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
PubChem CID100530154
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Namemethyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H19NO4S/c1-15-7-3-6-10-19(15)21(14-20(22)25-2)26(23,24)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,14H2,1-2H3
InChIKeySAIFZLVXQAXONA-UHFFFAOYSA-N
XLogP3.52
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate 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

methyl 2-(3,4-dimethyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100530643
methyl 2-(3-chloro-4-methyl-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100533138
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
ethyl 2-(2,5-dimethoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531956
ethyl 2-(4-methoxy-N-naphthalen-2-ylsulfonylanilino)acetate
CID 100531336
methyl 2-[naphthalen-1-yl-(3-nitrophenyl)sulfonylamino]acetate
CID 50894140
methyl 2-(N-(4-methylphenyl)sulfonyl-2-propan-2-ylanilino)acetate
CID 50893640
ethyl 2-(N-(3-chloro-4-methoxyphenyl)sulfonyl-2-methylanilino)acetate
CID 100510086
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
2-(3-chloro-2-methyl-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100533072
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
methyl 2-(2-methyl-N-(4-methylphenyl)sulfonyl-4-nitroanilino)acetate
CID 50894197

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate?
The IUPAC name of methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate (CID 100530154) is methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate?
The canonical SMILES for methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate is COC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate?
The InChIKey is SAIFZLVXQAXONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-15-7-3-6-10-19(15)21(14-20(22)25-2)26(23,24)18-12-11-16-8-4-5-9-17(16)13-18/h3-13H,14H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate?
methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate has a molecular weight of 369.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-N-naphthalen-2-ylsulfonylanilino)acetate is sourced from PubChem (CID 100530154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).