ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate

C18H29NO4SSi — CID 10667696

IUPACethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate
SMILESC=C(C[C@H](NS(=O)(=O)CC[Si](C)(C)C)C(=O)OCC)c1ccccc1
InChIInChI=1S/C18H29NO4SSi/c1-6-23-18(20)17(14-15(2)16-10-8-7-9-11-16)19-24(21,22)12-13-25(3,4)5/h7-11,17,19H,2,6,12-14H2,1,3-5H3/t17-/m0/s1
InChIKeyCNPXZIZGKUWVAC-KRWDZBQOSA-N
MW383.59 g/mol
LogP3.28
Rot. Bonds10

About ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate

ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate (PubChem CID 10667696) has the molecular formula C18H29NO4SSi and a molecular weight of 383.59 g/mol. Its IUPAC name is ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate.

Molecular Properties

Compound Nameethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate
PubChem CID10667696
Molecular FormulaC18H29NO4SSi
Molecular Weight383.59 g/mol
Exact Mass383.16
IUPAC Nameethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate
SMILESC=C(C[C@H](NS(=O)(=O)CC[Si](C)(C)C)C(=O)OCC)c1ccccc1
InChIInChI=1S/C18H29NO4SSi/c1-6-23-18(20)17(14-15(2)16-10-8-7-9-11-16)19-24(21,22)12-13-25(3,4)5/h7-11,17,19H,2,6,12-14H2,1,3-5H3/t17-/m0/s1
InChIKeyCNPXZIZGKUWVAC-KRWDZBQOSA-N
XLogP3.28
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023384
N-(2-methyl-16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
CID 25023448
(S)-Methyl 4-phenyl-2-(trifluoromethylsulfonamido)butanoate
CID 72183463
ethyl (2S)-2-[[(S)-tert-butylsulfinyl]amino]-4-[4-(trifluoromethyl)phenyl]pent-4-enoate
CID 135005888
ethyl (2R)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 7188139
methyl (2R)-2-(benzenesulfonamido)-3-phenylpropanoate
CID 53645680
methyl 7-[(5S)-5-[(4-fluorophenyl)methylsulfonylamino]cyclopenten-1-yl]heptanoate
CID 67797270
ethyl (2R)-2-(tert-butylsulfinylamino)-4-[4-(trifluoromethyl)phenyl]pent-4-enoate
CID 69570020
ethyl (2S)-2-(tert-butylsulfinylamino)-4-[4-(trifluoromethyl)phenyl]pent-4-enoate
CID 69571831
ethyl (2S)-2-(fluoromethylsulfonylamino)-3-phenylpropanoate
CID 140991039
Ethyl 2-[(4-methylphenyl)sulfonylamino]-4-phenylpent-4-enoate
CID 10904822
ethyl (2S)-2-[(4-methylphenyl)sulfonylamino]-4-phenylpent-4-enoate
CID 11003258

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate?
The IUPAC name of ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate (CID 10667696) is ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate.
What is the SMILES notation for ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate?
The canonical SMILES for ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate is C=C(C[C@H](NS(=O)(=O)CC[Si](C)(C)C)C(=O)OCC)c1ccccc1.
What is the InChIKey of ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate?
The InChIKey is CNPXZIZGKUWVAC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29NO4SSi/c1-6-23-18(20)17(14-15(2)16-10-8-7-9-11-16)19-24(21,22)12-13-25(3,4)5/h7-11,17,19H,2,6,12-14H2,1,3-5H3/t17-/m0/s1.
What are the key properties of ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate?
ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate has a molecular weight of 383.59 g/mol, XLogP of 3.28, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-4-phenyl-2-(2-trimethylsilylethylsulfonylamino)pent-4-enoate is sourced from PubChem (CID 10667696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).