ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate

C24H29NO5S — CID 11362755

IUPACethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate
SMILESC=CC[C@H]1O[C@@H](c2ccccc2)C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C24H29NO5S/c1-4-9-21-20(16-22(30-21)18-10-7-6-8-11-18)23(24(26)29-5-2)25-31(27,28)19-14-12-17(3)13-15-19/h4,6-8,10-15,20-23,25H,1,5,9,16H2,2-3H3/t20-,21+,22+,23+/m0/s1
InChIKeyWFOIBMYWXHKINN-WBADGQHESA-N
MW443.57 g/mol
LogP3.93
Rot. Bonds9

About ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate

ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate (PubChem CID 11362755) has the molecular formula C24H29NO5S and a molecular weight of 443.57 g/mol. Its IUPAC name is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate.

Molecular Properties

Compound Nameethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate
PubChem CID11362755
Molecular FormulaC24H29NO5S
Molecular Weight443.57 g/mol
Exact Mass443.18
IUPAC Nameethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate
SMILESC=CC[C@H]1O[C@@H](c2ccccc2)C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC
InChIInChI=1S/C24H29NO5S/c1-4-9-21-20(16-22(30-21)18-10-7-6-8-11-18)23(24(26)29-5-2)25-31(27,28)19-14-12-17(3)13-15-19/h4,6-8,10-15,20-23,25H,1,5,9,16H2,2-3H3/t20-,21+,22+,23+/m0/s1
InChIKeyWFOIBMYWXHKINN-WBADGQHESA-N
XLogP3.93
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate?
The IUPAC name of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate (CID 11362755) is ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate.
What is the SMILES notation for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate?
The canonical SMILES for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate is C=CC[C@H]1O[C@@H](c2ccccc2)C[C@@H]1[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC.
What is the InChIKey of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate?
The InChIKey is WFOIBMYWXHKINN-WBADGQHESA-N. The full InChI is InChI=1S/C24H29NO5S/c1-4-9-21-20(16-22(30-21)18-10-7-6-8-11-18)23(24(26)29-5-2)25-31(27,28)19-14-12-17(3)13-15-19/h4,6-8,10-15,20-23,25H,1,5,9,16H2,2-3H3/t20-,21+,22+,23+/m0/s1.
What are the key properties of ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate?
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate has a molecular weight of 443.57 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-2-[(2R,3R,5R)-5-phenyl-2-prop-2-enyloxolan-3-yl]acetate is sourced from PubChem (CID 11362755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).