(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

C24H26N2O2S — CID 2116063

IUPAC(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO[C@H](CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)COCc1cccs1
InChIInChI=1S/C24H26N2O2S/c27-19(16-28-17-20-9-6-12-29-20)13-25-14-22(18-7-2-1-3-8-18)23-15-26-24-11-5-4-10-21(23)24/h1-12,15,19,22,25-27H,13-14,16-17H2/t19-,22+/m1/s1
InChIKeyNOCUORWSMDGQHN-KNQAVFIVSA-N
MW406.55 g/mol
LogP4.53
Rot. Bonds10

About (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol

(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 2116063) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID2116063
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESO[C@H](CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)COCc1cccs1
InChIInChI=1S/C24H26N2O2S/c27-19(16-28-17-20-9-6-12-29-20)13-25-14-22(18-7-2-1-3-8-18)23-15-26-24-11-5-4-10-21(23)24/h1-12,15,19,22,25-27H,13-14,16-17H2/t19-,22+/m1/s1
InChIKeyNOCUORWSMDGQHN-KNQAVFIVSA-N
XLogP4.53
TPSA57.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]thiophene-2-carboxamide
CID 4880396
3-ethyl-1-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]pentan-2-ol
CID 106285514
(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[[(2S)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]propan-2-ol
CID 2128218
1-[(4-methylphenyl)methylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 60632328
1-(3-methylsulfanylpropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 63966458
1-[2-(furan-2-yl)ethylamino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 54907292
(2R)-1-(3-propan-2-yloxypropylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2119639
(2R)-1-[[(2R)-2-(2,3-dimethoxyphenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methoxy]propan-2-ol
CID 6591127
3-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]hexan-1-ol
CID 106115240
methyl 3-[(2R)-2-hydroxy-3-[[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]propoxy]benzoate
CID 41051598
1-(2-butoxyethylamino)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 61171076
ethyl 2-[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]acetate
CID 54937741

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 2116063) is (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is O[C@H](CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)COCc1cccs1.
What is the InChIKey of (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is NOCUORWSMDGQHN-KNQAVFIVSA-N. The full InChI is InChI=1S/C24H26N2O2S/c27-19(16-28-17-20-9-6-12-29-20)13-25-14-22(18-7-2-1-3-8-18)23-15-26-24-11-5-4-10-21(23)24/h1-12,15,19,22,25-27H,13-14,16-17H2/t19-,22+/m1/s1.
What are the key properties of (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol?
(2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 406.55 g/mol, XLogP of 4.53, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]amino]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 2116063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).