1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole

C23H28N2O4S — CID 25104510

IUPAC1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole
SMILESCCc1ccc(S(=O)(=O)n2ccc3cc(OC)ccc32)cc1OC1CCN(C)CC1
InChIInChI=1S/C23H28N2O4S/c1-4-17-5-7-21(16-23(17)29-19-10-12-24(2)13-11-19)30(26,27)25-14-9-18-15-20(28-3)6-8-22(18)25/h5-9,14-16,19H,4,10-13H2,1-3H3
InChIKeyNWGLVAJUWYEFBS-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.92
Rot. Bonds6

About 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole

1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole (PubChem CID 25104510) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole.

Molecular Properties

Compound Name1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole
PubChem CID25104510
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole
SMILESCCc1ccc(S(=O)(=O)n2ccc3cc(OC)ccc32)cc1OC1CCN(C)CC1
InChIInChI=1S/C23H28N2O4S/c1-4-17-5-7-21(16-23(17)29-19-10-12-24(2)13-11-19)30(26,27)25-14-9-18-15-20(28-3)6-8-22(18)25/h5-9,14-16,19H,4,10-13H2,1-3H3
InChIKeyNWGLVAJUWYEFBS-UHFFFAOYSA-N
XLogP3.92
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Masupirdine
CID 10073773
N-Methyl-5-benzyloxyindole
CID 259196
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N-methylethanamine
CID 11461668
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-1-(4-fluorophenyl)sulfonyl-5-methoxyindole
CID 56666540
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56666541
1-(2-Bromophenyl)sulfonyl-5-ethoxy-3-(1-methylpyrrolidin-3-yl)indole
CID 56670011
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56683432
5-Methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56683496

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole?
The IUPAC name of 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole (CID 25104510) is 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole.
What is the SMILES notation for 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole?
The canonical SMILES for 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole is CCc1ccc(S(=O)(=O)n2ccc3cc(OC)ccc32)cc1OC1CCN(C)CC1.
What is the InChIKey of 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole?
The InChIKey is NWGLVAJUWYEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-4-17-5-7-21(16-23(17)29-19-10-12-24(2)13-11-19)30(26,27)25-14-9-18-15-20(28-3)6-8-22(18)25/h5-9,14-16,19H,4,10-13H2,1-3H3.
What are the key properties of 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole?
1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole has a molecular weight of 428.55 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-3-(1-methylpiperidin-4-yl)oxyphenyl]sulfonyl-5-methoxyindole is sourced from PubChem (CID 25104510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).