N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide

C20H24N2O3S — CID 74324568

IUPACN-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-22-13-14-25-20(16-22)18-8-10-19(11-9-18)21-26(23,24)15-12-17-6-4-3-5-7-17/h3-12,15,20-21H,2,13-14,16H2,1H3
InChIKeyQXINFPMSEYJGJG-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.49
Rot. Bonds6

About N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide

N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide (PubChem CID 74324568) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide
PubChem CID74324568
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide
SMILESCCN1CCOC(c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)C1
InChIInChI=1S/C20H24N2O3S/c1-2-22-13-14-25-20(16-22)18-8-10-19(11-9-18)21-26(23,24)15-12-17-6-4-3-5-7-17/h3-12,15,20-21H,2,13-14,16H2,1H3
InChIKeyQXINFPMSEYJGJG-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{4-[4-(2-Benzhydryloxy-ethyl)-piperidin-1-ylmethyl]-phenyl}-methanesulfonamide
CID 10184219
N-[(4-methylphenyl)methyl]-4-[(2S)-morpholin-2-yl]aniline
CID 68325618
4-[(2S)-morpholin-2-yl]-N-(2-phenylethyl)aniline
CID 68325836
N-(3-(4-propylmorpholin-2-yl)phenyl)methanesulfonamide
CID 44443916
N-[4-[2-(ethylheptylamino)-1-hydroxyethyl]phenyl]methanesulfonamide
CID 14891483
N-[4-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]-hydroxymethyl]phenyl]methanesulfonamide
CID 19099908
4-(Morpholin-2-yl)aniline
CID 19900974
1-Phenyl-4-(3-phenyloxiran-2-yl)sulfonylpiperazine
CID 13728505
N-[4-[2-[2-[[4-(methanesulfonamido)phenyl]-phenylmethoxy]ethyl-methylamino]ethyl]phenyl]methanesulfonamide
CID 14645114
N-[4-[1-hydroxy-4-(4-methylpiperidin-1-yl)butyl]phenyl]methanesulfonamide
CID 14891469
N-[4-[(2R,3R)-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]-1-phenylmethanesulfonamide
CID 71693250
N-[4-[(2R,3R)-4-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-5-oxomorpholin-2-yl]phenyl]butane-1-sulfonamide
CID 71693580

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide (CID 74324568) is N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide is CCN1CCOC(c2ccc(NS(=O)(=O)C=Cc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is QXINFPMSEYJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-22-13-14-25-20(16-22)18-8-10-19(11-9-18)21-26(23,24)15-12-17-6-4-3-5-7-17/h3-12,15,20-21H,2,13-14,16H2,1H3.
What are the key properties of N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide?
N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylmorpholin-2-yl)phenyl]-2-phenylethenesulfonamide is sourced from PubChem (CID 74324568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).