methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate

C25H25NO4S — CID 101398756

IUPACmethyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
SMILESCOC(=O)C(C/C=C/c1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4S/c1-20-15-17-23(18-16-20)31(28,29)26-25(24(27)30-2,22-13-7-4-8-14-22)19-9-12-21-10-5-3-6-11-21/h3-18,26H,19H2,1-2H3/b12-9+
InChIKeyXNNPYYBPFHWWJA-FMIVXFBMSA-N
MW435.55 g/mol
LogP4.45
Rot. Bonds8

About methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate

methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate (PubChem CID 101398756) has the molecular formula C25H25NO4S and a molecular weight of 435.55 g/mol. Its IUPAC name is methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate.

Molecular Properties

Compound Namemethyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
PubChem CID101398756
Molecular FormulaC25H25NO4S
Molecular Weight435.55 g/mol
Exact Mass435.15
IUPAC Namemethyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate
SMILESCOC(=O)C(C/C=C/c1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C25H25NO4S/c1-20-15-17-23(18-16-20)31(28,29)26-25(24(27)30-2,22-13-7-4-8-14-22)19-9-12-21-10-5-3-6-11-21/h3-18,26H,19H2,1-2H3/b12-9+
InChIKeyXNNPYYBPFHWWJA-FMIVXFBMSA-N
XLogP4.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(Z)-3-phenylprop-2-enyl] N-(4-methylphenyl)sulfonylcarbamate
CID 102353447
N-[(E)-1-cyano-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
CID 11954463
ethyl (2R)-3-methylidene-2-[(4-methylphenyl)sulfonylamino]-4-oxo-2-phenylhexanoate
CID 134949166
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
(2S)-2-(benzenesulfonamido)-2-phenylbutanoate
CID 6942302
diethyl 2-phenyl-2-[(Z)-3-phenylprop-2-enyl]propanedioate
CID 134872871
(4-methylphenyl)-oxo-(3-phenylprop-2-enoxy)-sulfanylidene-λ6-sulfane
CID 54209699
4-methylbenzenesulfonate;[(E)-3-phenylprop-2-enyl]azanium
CID 10542631
4-methyl-N'-[(E)-2-phenylethenyl]sulfonylbenzenesulfonohydrazide
CID 8500656
4-methyl-N-[(2Z,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide
CID 10519274
N-[(Z,1R)-1,4-diphenylbut-3-enyl]-4-methylbenzenesulfonamide
CID 11696524
methyl (2S)-3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylamino]-2-[[[(1R)-1-phenylethyl]amino]methyl]propanoate
CID 134835567

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate?
The IUPAC name of methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate (CID 101398756) is methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate.
What is the SMILES notation for methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate?
The canonical SMILES for methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate is COC(=O)C(C/C=C/c1ccccc1)(NS(=O)(=O)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate?
The InChIKey is XNNPYYBPFHWWJA-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H25NO4S/c1-20-15-17-23(18-16-20)31(28,29)26-25(24(27)30-2,22-13-7-4-8-14-22)19-9-12-21-10-5-3-6-11-21/h3-18,26H,19H2,1-2H3/b12-9+.
What are the key properties of methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate?
methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate has a molecular weight of 435.55 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-[(4-methylphenyl)sulfonylamino]-2,5-diphenylpent-4-enoate is sourced from PubChem (CID 101398756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).