(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide

C20H25N2O3S+ — CID 8845008

IUPAC(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-26(24,16-11-18-7-3-1-4-8-18)21-20(19-9-5-2-6-10-19)17-22-12-14-25-15-13-22/h1-11,16,20-21H,12-15,17H2/p+1/b16-11+/t20-/m0/s1
InChIKeyJLZFSWRMGMJIRI-PRDNPTHXSA-O
MW373.50 g/mol
LogP1.23
Rot. Bonds7

About (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide

(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide (PubChem CID 8845008) has the molecular formula C20H25N2O3S+ and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
PubChem CID8845008
Molecular FormulaC20H25N2O3S+
Molecular Weight373.50 g/mol
Exact Mass373.16
IUPAC Name(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(/C=C/c1ccccc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24N2O3S/c23-26(24,16-11-18-7-3-1-4-8-18)21-20(19-9-5-2-6-10-19)17-22-12-14-25-15-13-22/h1-11,16,20-21H,12-15,17H2/p+1/b16-11+/t20-/m0/s1
InChIKeyJLZFSWRMGMJIRI-PRDNPTHXSA-O
XLogP1.23
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
CID 8844490
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]thiophene-2-sulfonamide
CID 8844908
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 8845219
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9149673
(E)-2-phenyl-N-propan-2-ylethenesulfonamide
CID 23548846
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]prop-2-enamide
CID 9148750
4-chloro-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzamide
CID 9148310

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide (CID 8845008) is (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide is O=S(=O)(/C=C/c1ccccc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1.
What is the InChIKey of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide?
The InChIKey is JLZFSWRMGMJIRI-PRDNPTHXSA-O. The full InChI is InChI=1S/C20H24N2O3S/c23-26(24,16-11-18-7-3-1-4-8-18)21-20(19-9-5-2-6-10-19)17-22-12-14-25-15-13-22/h1-11,16,20-21H,12-15,17H2/p+1/b16-11+/t20-/m0/s1.
What are the key properties of (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide?
(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide has a molecular weight of 373.50 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 8845008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).