methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

C17H19NO5S — CID 3668229

IUPACmethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3
InChIKeyGMFVHGJXXRZMLV-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.76
Rot. Bonds7

About methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate

methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 3668229) has the molecular formula C17H19NO5S and a molecular weight of 349.41 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID3668229
Molecular FormulaC17H19NO5S
Molecular Weight349.41 g/mol
Exact Mass349.10
IUPAC Namemethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3
InChIKeyGMFVHGJXXRZMLV-UHFFFAOYSA-N
XLogP1.76
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 3668229) is methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is GMFVHGJXXRZMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S/c1-22-14-8-10-15(11-9-14)24(20,21)18-16(17(19)23-2)12-13-6-4-3-5-7-13/h3-11,16,18H,12H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate?
methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 349.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 3668229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).