methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate

C20H19NO4S — CID 140550582

IUPACmethyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](c1ccccc1)S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO4S/c1-25-20(22)14-19(16-9-3-2-4-10-16)26(23,24)21-18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyZJFUQZZYEXBICO-LJQANCHMSA-N
MW369.44 g/mol
LogP3.89
Rot. Bonds6

About methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate

methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate (PubChem CID 140550582) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate
PubChem CID140550582
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Namemethyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate
SMILESCOC(=O)C[C@H](c1ccccc1)S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C20H19NO4S/c1-25-20(22)14-19(16-9-3-2-4-10-16)26(23,24)21-18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19,21H,14H2,1H3/t19-/m1/s1
InChIKeyZJFUQZZYEXBICO-LJQANCHMSA-N
XLogP3.89
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-[1-(naphthalen-1-ylsulfamoyl)cyclopropyl]acetate
CID 122149479
2-[2-methyl-4-(naphthalen-2-ylsulfonylamino)-3H-inden-1-yl]acetic acid
CID 25135667
Methyl 3-[4-[(4-methylphenyl)sulfonylamino]-5,8-dihydronaphthalen-1-yl]propanoate
CID 135018003
ethyl (3S)-3-[2-(benzylsulfonylamino)phenyl]-3-(2-iodophenyl)propanoate
CID 155932066
3-[4-(5,6,7,8-Tetrahydronaphthalen-1-ylsulfamoyl)phenyl]propanoic acid
CID 25703691
7-(1-Mesylamino-2-naphthyl)heptanoic acid
CID 18979131
7-(1-Tosylamino-2-naphthyl)heptanoic acid
CID 18979284
Methyl 3-[4-(1,4-diaminonaphthalen-2-yl)phenyl]propanoate
CID 22058907
Ethyl 5-(naphthalen-2-ylsulfamoyl)pentanoate
CID 22492448
2-[2-methyl-6-(naphthalen-1-ylsulfamoyl)-3H-inden-1-yl]acetic acid
CID 25208877
Methyl 2-(naphthalen-2-ylsulfamoyl)acetate
CID 59374682
Methyl 7-(phenylsulfonamido)-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 66661233

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate (CID 140550582) is methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate is COC(=O)C[C@H](c1ccccc1)S(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate?
The InChIKey is ZJFUQZZYEXBICO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-25-20(22)14-19(16-9-3-2-4-10-16)26(23,24)21-18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19,21H,14H2,1H3/t19-/m1/s1.
What are the key properties of methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate?
methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate has a molecular weight of 369.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(naphthalen-1-ylsulfamoyl)-3-phenylpropanoate is sourced from PubChem (CID 140550582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).