1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

C20H25NO4S — CID 121084274

IUPAC1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)C2)cc1
InChIInChI=1S/C20H25NO4S/c1-14-11-19(25-4)20(12-15(14)2)26(22,23)21-10-9-17(13-21)16-5-7-18(24-3)8-6-16/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyXTLCMPVJUCAUMZ-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine

1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine (PubChem CID 121084274) has the molecular formula C20H25NO4S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
PubChem CID121084274
Molecular FormulaC20H25NO4S
Molecular Weight375.49 g/mol
Exact Mass375.15
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)C2)cc1
InChIInChI=1S/C20H25NO4S/c1-14-11-19(25-4)20(12-15(14)2)26(22,23)21-10-9-17(13-21)16-5-7-18(24-3)8-6-16/h5-8,11-12,17H,9-10,13H2,1-4H3
InChIKeyXTLCMPVJUCAUMZ-UHFFFAOYSA-N
XLogP3.50
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine
CID 75932086
1-(2,5-dimethoxyphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147234
3-(4-methoxyphenyl)-1-(2,3,4,5,6-pentamethylphenyl)sulfonylpyrrolidine
CID 121084286
1-(2,4-dichloro-5-methylphenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147273
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
3-(1,3-benzodioxol-5-yl)-1-(2,4-dimethoxyphenyl)sulfonylpyrrolidine
CID 110603906
(3R)-3-(4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine
CID 94919570
methyl 2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 47091704
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
2-[(3S)-1-(2-methoxy-4,5-dimethylphenyl)sulfonylpyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850379
(2S)-4-(2-methoxy-4,5-dimethylphenyl)sulfonyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 95366969
3-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 94797843

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The IUPAC name of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine (CID 121084274) is 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine is COc1ccc(C2CCN(S(=O)(=O)c3cc(C)c(C)cc3OC)C2)cc1.
What is the InChIKey of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
The InChIKey is XTLCMPVJUCAUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4S/c1-14-11-19(25-4)20(12-15(14)2)26(22,23)21-10-9-17(13-21)16-5-7-18(24-3)8-6-16/h5-8,11-12,17H,9-10,13H2,1-4H3.
What are the key properties of 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine?
1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine has a molecular weight of 375.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,5-dimethylphenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 121084274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).