methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

C17H18FNO4S — CID 146168591

IUPACmethyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO4S/c1-12-3-9-15(10-4-12)24(21,22)19-11-16(17(20)23-2)13-5-7-14(18)8-6-13/h3-10,16,19H,11H2,1-2H3/t16-/m0/s1
InChIKeyOVWOLUPRBFZBDH-INIZCTEOSA-N
MW351.40 g/mol
LogP2.37
Rot. Bonds6

About methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate

methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 146168591) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID146168591
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Namemethyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO4S/c1-12-3-9-15(10-4-12)24(21,22)19-11-16(17(20)23-2)13-5-7-14(18)8-6-13/h3-10,16,19H,11H2,1-2H3/t16-/m0/s1
InChIKeyOVWOLUPRBFZBDH-INIZCTEOSA-N
XLogP2.37
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 146168591) is methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is OVWOLUPRBFZBDH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12-3-9-15(10-4-12)24(21,22)19-11-16(17(20)23-2)13-5-7-14(18)8-6-13/h3-10,16,19H,11H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 351.40 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-fluorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 146168591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).