3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol

C21H22N2OS2 — CID 53494540

IUPAC3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN(CCc3cccs3)Cc3cccs3)c2c1
InChIInChI=1S/C21H22N2OS2/c24-17-5-6-21-20(13-17)16(14-22-21)7-9-23(15-19-4-2-12-26-19)10-8-18-3-1-11-25-18/h1-6,11-14,22,24H,7-10,15H2
InChIKeySMHQYSZQFWTGMB-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.28
Rot. Bonds8

About 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol

3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol (PubChem CID 53494540) has the molecular formula C21H22N2OS2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol
PubChem CID53494540
Molecular FormulaC21H22N2OS2
Molecular Weight382.55 g/mol
Exact Mass382.12
IUPAC Name3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol
SMILESOc1ccc2[nH]cc(CCN(CCc3cccs3)Cc3cccs3)c2c1
InChIInChI=1S/C21H22N2OS2/c24-17-5-6-21-20(13-17)16(14-22-21)7-9-23(15-19-4-2-12-26-19)10-8-18-3-1-11-25-18/h1-6,11-14,22,24H,7-10,15H2
InChIKeySMHQYSZQFWTGMB-UHFFFAOYSA-N
XLogP5.28
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(2-thiophen-2-ylethyl)guanidine
CID 111800554
2-(1H-indol-3-yl)-N,N-bis(thiophen-2-ylmethyl)ethanamine oxide
CID 53494268
2-[[2-(1H-indol-3-yl)ethyl-(thiophen-2-ylmethyl)amino]methyl]-N-(2-pyridin-2-ylethyl)-1,3-oxazole-4-carboxamide
CID 42833164
3-prop-2-enyl-1H-indol-5-ol
CID 24746176
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
N,N-dibenzyl-2-(5-ethyl-1H-indol-3-yl)ethanamine
CID 175502813

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol (CID 53494540) is 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol is Oc1ccc2[nH]cc(CCN(CCc3cccs3)Cc3cccs3)c2c1.
What is the InChIKey of 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol?
The InChIKey is SMHQYSZQFWTGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS2/c24-17-5-6-21-20(13-17)16(14-22-21)7-9-23(15-19-4-2-12-26-19)10-8-18-3-1-11-25-18/h1-6,11-14,22,24H,7-10,15H2.
What are the key properties of 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol?
3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol has a molecular weight of 382.55 g/mol, XLogP of 5.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-thiophen-2-ylethyl(thiophen-2-ylmethyl)amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 53494540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).