(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide

C21H27N2O3S+ — CID 8844490

IUPAC(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-18-7-9-20(10-8-18)21(17-23-12-14-26-15-13-23)22-27(24,25)16-11-19-5-3-2-4-6-19/h2-11,16,21-22H,12-15,17H2,1H3/p+1/b16-11+/t21-/m0/s1
InChIKeyJQEKCSXLYKQNSN-HZBHDWBUSA-O
MW387.53 g/mol
LogP1.54
Rot. Bonds7

About (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide

(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide (PubChem CID 8844490) has the molecular formula C21H27N2O3S+ and a molecular weight of 387.53 g/mol. Its IUPAC name is (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
PubChem CID8844490
Molecular FormulaC21H27N2O3S+
Molecular Weight387.53 g/mol
Exact Mass387.17
IUPAC Name(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-18-7-9-20(10-8-18)21(17-23-12-14-26-15-13-23)22-27(24,25)16-11-19-5-3-2-4-6-19/h2-11,16,21-22H,12-15,17H2,1H3/p+1/b16-11+/t21-/m0/s1
InChIKeyJQEKCSXLYKQNSN-HZBHDWBUSA-O
XLogP1.54
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide with MolForge

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Related Compounds

(E)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845008
4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844443
2-methoxy-5-methyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845179
(E)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-phenylethenesulfonamide
CID 8845009
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844896
4-cyano-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 8844547
3,4-dimethyl-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8844996
N-[4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]sulfamoyl]phenyl]acetamide
CID 8844418
N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 8844550
4-tert-butyl-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]benzenesulfonamide
CID 8845032
(E)-3-(3-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144458
(E)-3-(3,5-dimethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
CID 9144960

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide (CID 8844490) is (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NS(=O)(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide?
The InChIKey is JQEKCSXLYKQNSN-HZBHDWBUSA-O. The full InChI is InChI=1S/C21H26N2O3S/c1-18-7-9-20(10-8-18)21(17-23-12-14-26-15-13-23)22-27(24,25)16-11-19-5-3-2-4-6-19/h2-11,16,21-22H,12-15,17H2,1H3/p+1/b16-11+/t21-/m0/s1.
What are the key properties of (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide?
(E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide has a molecular weight of 387.53 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 8844490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).