methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate

C21H21NO4S — CID 146168596

IUPACmethyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO4S/c1-15-7-11-19(12-8-15)27(24,25)22-14-20(21(23)26-2)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,20,22H,14H2,1-2H3/t20-/m0/s1
InChIKeyDJUNBQJWNPCAFS-FQEVSTJZSA-N
MW383.47 g/mol
LogP3.38
Rot. Bonds6

About methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate

methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate (PubChem CID 146168596) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate
PubChem CID146168596
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Namemethyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C21H21NO4S/c1-15-7-11-19(12-8-15)27(24,25)22-14-20(21(23)26-2)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,20,22H,14H2,1-2H3/t20-/m0/s1
InChIKeyDJUNBQJWNPCAFS-FQEVSTJZSA-N
XLogP3.38
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate 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-[4-[4-(Benzylsulfamoyl)phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetic acid
CID 71711577
sodium 2-[2-[(naphthalen-2-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 23673317
sodium 2-[2-[(naphthalen-1-ylsulfonylamino)methyl]-2,3-dihydro-1H-inden-5-yl]acetate
CID 44353316
[4-(4-Cyclohexylsulfamoyl-phenyl)-6-fluoro-3-methyl-naphthalen-2-yl]-acetic acid
CID 71711512
2-[6-Fluoro-3-methyl-4-[4-(propan-2-ylsulfamoyl)phenyl]naphthalen-2-yl]acetic acid
CID 71711644
2-[6-Fluoro-4-[4-(2-hydroxyethylsulfamoyl)phenyl]-3-methylnaphthalen-2-yl]acetic acid
CID 71711711
octyl (2R,3S)-2-(naphthalen-2-ylsulfonylamino)-3-phenylbutanoate
CID 168287180
methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 146168591
2-[7-[(Naphthalen-2-ylsulfonylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]acetic acid
CID 9954506
methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-phenylpropanoate
CID 146168586
methyl (2R)-2-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
CID 146168595
4-{[(Naphthalen-2-yl)sulfonylamino]methyl}cyclohexanecarboxylic acid
CID 15895382

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate (CID 146168596) is methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate is COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1.
What is the InChIKey of methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate?
The InChIKey is DJUNBQJWNPCAFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-15-7-11-19(12-8-15)27(24,25)22-14-20(21(23)26-2)18-10-9-16-5-3-4-6-17(16)13-18/h3-13,20,22H,14H2,1-2H3/t20-/m0/s1.
What are the key properties of methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate?
methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate has a molecular weight of 383.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-[(4-methylphenyl)sulfonylamino]-2-naphthalen-2-ylpropanoate is sourced from PubChem (CID 146168596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).