2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

C20H23NO4S — CID 46633684

IUPAC2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO4S/c1-24-17-10-11-18(20(15-17)25-2)19-9-6-13-21(19)26(22,23)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-12,14-15,19H,6,9,13H2,1-2H3/b14-12+
InChIKeyNAZMUTXTHOCLRD-WYMLVPIESA-N
MW373.47 g/mol
LogP3.84
Rot. Bonds6

About 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine

2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (PubChem CID 46633684) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
PubChem CID46633684
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine
SMILESCOc1ccc(C2CCCN2S(=O)(=O)/C=C/c2ccccc2)c(OC)c1
InChIInChI=1S/C20H23NO4S/c1-24-17-10-11-18(20(15-17)25-2)19-9-6-13-21(19)26(22,23)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-12,14-15,19H,6,9,13H2,1-2H3/b14-12+
InChIKeyNAZMUTXTHOCLRD-WYMLVPIESA-N
XLogP3.84
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190238
4-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylmorpholine
CID 51335623
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
methyl 3-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 55515450
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-2,4-dimethyl-1,3-thiazole
CID 95788624
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
(E)-1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 46636836
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498568
[1-(benzenesulfonyl)piperidin-4-yl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25498564

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine (CID 46633684) is 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is COc1ccc(C2CCCN2S(=O)(=O)/C=C/c2ccccc2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
The InChIKey is NAZMUTXTHOCLRD-WYMLVPIESA-N. The full InChI is InChI=1S/C20H23NO4S/c1-24-17-10-11-18(20(15-17)25-2)19-9-6-13-21(19)26(22,23)14-12-16-7-4-3-5-8-16/h3-5,7-8,10-12,14-15,19H,6,9,13H2,1-2H3/b14-12+.
What are the key properties of 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine?
2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine has a molecular weight of 373.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-1-[(E)-2-phenylethenyl]sulfonylpyrrolidine is sourced from PubChem (CID 46633684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).