3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane

C24H34N2O4S — CID 142074496

IUPAC3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane
SMILESCC.COc1ccc(C2CN(S(=O)(=O)c3cccnc3)CC2C)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4S.C2H6/c1-16-14-24(29(25,26)19-8-5-11-23-13-19)15-20(16)17-9-10-21(27-2)22(12-17)28-18-6-3-4-7-18;1-2/h5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3;1-2H3
InChIKeyLDAVHXSVBFMZCL-UHFFFAOYSA-N
MW446.61 g/mol
LogP4.86
Rot. Bonds6

About 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane

3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane (PubChem CID 142074496) has the molecular formula C24H34N2O4S and a molecular weight of 446.61 g/mol. Its IUPAC name is 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane.

Molecular Properties

Compound Name3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane
PubChem CID142074496
Molecular FormulaC24H34N2O4S
Molecular Weight446.61 g/mol
Exact Mass446.22
IUPAC Name3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane
SMILESCC.COc1ccc(C2CN(S(=O)(=O)c3cccnc3)CC2C)cc1OC1CCCC1
InChIInChI=1S/C22H28N2O4S.C2H6/c1-16-14-24(29(25,26)19-8-5-11-23-13-19)15-20(16)17-9-10-21(27-2)22(12-17)28-18-6-3-4-7-18;1-2/h5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3;1-2H3
InChIKeyLDAVHXSVBFMZCL-UHFFFAOYSA-N
XLogP4.86
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.61
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane?
The IUPAC name of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane (CID 142074496) is 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane.
What is the SMILES notation for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane?
The canonical SMILES for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane is CC.COc1ccc(C2CN(S(=O)(=O)c3cccnc3)CC2C)cc1OC1CCCC1.
What is the InChIKey of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane?
The InChIKey is LDAVHXSVBFMZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S.C2H6/c1-16-14-24(29(25,26)19-8-5-11-23-13-19)15-20(16)17-9-10-21(27-2)22(12-17)28-18-6-3-4-7-18;1-2/h5,8-13,16,18,20H,3-4,6-7,14-15H2,1-2H3;1-2H3.
What are the key properties of 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane?
3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane has a molecular weight of 446.61 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-cyclopentyloxy-4-methoxyphenyl)-4-methylpyrrolidin-1-yl]sulfonylpyridine;ethane is sourced from PubChem (CID 142074496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).