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

C18H21NO5S — CID 146168587

IUPACmethyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-13-4-10-16(11-5-13)25(21,22)19-12-17(18(20)24-3)14-6-8-15(23-2)9-7-14/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyLFSAFCIPDYIRTD-KRWDZBQOSA-N
MW363.44 g/mol
LogP2.24
Rot. Bonds7

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

methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (PubChem CID 146168587) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
PubChem CID146168587
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Namemethyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H21NO5S/c1-13-4-10-16(11-5-13)25(21,22)19-12-17(18(20)24-3)14-6-8-15(23-2)9-7-14/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1
InChIKeyLFSAFCIPDYIRTD-KRWDZBQOSA-N
XLogP2.24
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate (CID 146168587) is methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is COC(=O)[C@@H](CNS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1.
What is the InChIKey of methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
The InChIKey is LFSAFCIPDYIRTD-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-13-4-10-16(11-5-13)25(21,22)19-12-17(18(20)24-3)14-6-8-15(23-2)9-7-14/h4-11,17,19H,12H2,1-3H3/t17-/m0/s1.
What are the key properties of methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate?
methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate has a molecular weight of 363.44 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 146168587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).