ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate

C16H20F2N2O5S — CID 177451670

IUPACethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate
SMILESCCOC(=O)C(F)(F)/C=C(\c1ccccc1)S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C16H20F2N2O5S/c1-2-25-15(21)16(17,18)12-14(13-6-4-3-5-7-13)26(22,23)19-20-8-10-24-11-9-20/h3-7,12,19H,2,8-11H2,1H3/b14-12+
InChIKeyBHODEQSOBPLIBR-WYMLVPIESA-N
MW390.41 g/mol
LogP1.39
Rot. Bonds7

About ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate

ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate (PubChem CID 177451670) has the molecular formula C16H20F2N2O5S and a molecular weight of 390.41 g/mol. Its IUPAC name is ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate.

Molecular Properties

Compound Nameethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate
PubChem CID177451670
Molecular FormulaC16H20F2N2O5S
Molecular Weight390.41 g/mol
Exact Mass390.11
IUPAC Nameethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate
SMILESCCOC(=O)C(F)(F)/C=C(\c1ccccc1)S(=O)(=O)NN1CCOCC1
InChIInChI=1S/C16H20F2N2O5S/c1-2-25-15(21)16(17,18)12-14(13-6-4-3-5-7-13)26(22,23)19-20-8-10-24-11-9-20/h3-7,12,19H,2,8-11H2,1H3/b14-12+
InChIKeyBHODEQSOBPLIBR-WYMLVPIESA-N
XLogP1.39
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl (E)-4,4-difluoro-2-phenylpent-2-enedioate
CID 162408755
ethyl 2-(benzenesulfonyl)-5-morpholin-4-ylpenta-2,4-dienoate
CID 88566624
ethyl 2-benzoyl-2,3,3,3-tetrafluoropropanoate
CID 15698185
ethyl 2-(benzenesulfonyl)-2-fluoro-3-oxobutanoate
CID 15685356
4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
CID 67647751
ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 793747
ethyl 2-fluoro-2-methyl-4-oxo-4-phenylbutanoate
CID 175710484
ethyl (2R)-2-(benzenesulfonamido)-2-di(propan-2-yloxy)phosphoryl-3,3,3-trifluoropropanoate
CID 7164469
ethyl 2-[[(E)-3-morpholin-4-yl-2-phenyl-3-sulfanylideneprop-1-enyl]amino]acetate
CID 13438836
benzyl N-morpholin-4-ylcarbamate
CID 54530052
2-ethyl-5-(morpholin-4-ylsulfamoyl)benzoic acid
CID 83004105
ethyl (2S)-2-(benzylsulfanylmethyl)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 101442419

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate?
The IUPAC name of ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate (CID 177451670) is ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate.
What is the SMILES notation for ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate?
The canonical SMILES for ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate is CCOC(=O)C(F)(F)/C=C(\c1ccccc1)S(=O)(=O)NN1CCOCC1.
What is the InChIKey of ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate?
The InChIKey is BHODEQSOBPLIBR-WYMLVPIESA-N. The full InChI is InChI=1S/C16H20F2N2O5S/c1-2-25-15(21)16(17,18)12-14(13-6-4-3-5-7-13)26(22,23)19-20-8-10-24-11-9-20/h3-7,12,19H,2,8-11H2,1H3/b14-12+.
What are the key properties of ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate?
ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate has a molecular weight of 390.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2,2-difluoro-4-(morpholin-4-ylsulfamoyl)-4-phenylbut-3-enoate is sourced from PubChem (CID 177451670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).