(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine

C20H25NO4S — CID 9190253

IUPAC(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO4S/c1-4-15-7-10-17(11-8-15)26(22,23)21-13-5-6-19(21)18-14-16(24-2)9-12-20(18)25-3/h7-12,14,19H,4-6,13H2,1-3H3/t19-/m1/s1
InChIKeyVURXGKVAOKRBAB-LJQANCHMSA-N
MW375.49 g/mol
LogP3.79
Rot. Bonds6

About (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine

(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine (PubChem CID 9190253) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
PubChem CID9190253
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
SMILESCCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1
InChIInChI=1S/C20H25NO4S/c1-4-15-7-10-17(11-8-15)26(22,23)21-13-5-6-19(21)18-14-16(24-2)9-12-20(18)25-3/h7-12,14,19H,4-6,13H2,1-3H3/t19-/m1/s1
InChIKeyVURXGKVAOKRBAB-LJQANCHMSA-N
XLogP3.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 17404197
1-[4-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 40987453
(2S)-1-(3-chloro-4-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 9190208
5-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 9190196
(2S)-2-(2,5-dimethoxyphenyl)-1-(4-fluoro-3-nitrophenyl)sulfonylpyrrolidine
CID 9190240
2-(2,5-dimethoxyphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine
CID 46823397
(2R)-1-benzylsulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 40820260
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
(2R)-2-(2,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)sulfonylpyrrolidine
CID 26531225
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17491177
2-(3,4-dimethoxyphenyl)-1-(4-propylphenyl)sulfonylpyrrolidine
CID 18146777

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The IUPAC name of (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine (CID 9190253) is (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine.
What is the SMILES notation for (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The canonical SMILES for (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine is CCc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(OC)ccc2OC)cc1.
What is the InChIKey of (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
The InChIKey is VURXGKVAOKRBAB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-4-15-7-10-17(11-8-15)26(22,23)21-13-5-6-19(21)18-14-16(24-2)9-12-20(18)25-3/h7-12,14,19H,4-6,13H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine?
(2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine has a molecular weight of 375.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dimethoxyphenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 9190253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).