morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone

C21H22N4O3S — CID 92619490

IUPACmorpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1[C@@H]1CN(c2ncccn2)CCO1)N1CCOCC1
InChIInChI=1S/C21H22N4O3S/c26-20(24-8-11-27-12-9-24)19-18(15-4-1-2-5-17(15)29-19)16-14-25(10-13-28-16)21-22-6-3-7-23-21/h1-7,16H,8-14H2/t16-/m0/s1
InChIKeyRZKSKWAHDJFXQZ-INIZCTEOSA-N
MW410.50 g/mol
LogP2.74
Rot. Bonds3

About morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone

morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone (PubChem CID 92619490) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
PubChem CID92619490
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Namemorpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
SMILESO=C(c1sc2ccccc2c1[C@@H]1CN(c2ncccn2)CCO1)N1CCOCC1
InChIInChI=1S/C21H22N4O3S/c26-20(24-8-11-27-12-9-24)19-18(15-4-1-2-5-17(15)29-19)16-14-25(10-13-28-16)21-22-6-3-7-23-21/h1-7,16H,8-14H2/t16-/m0/s1
InChIKeyRZKSKWAHDJFXQZ-INIZCTEOSA-N
XLogP2.74
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 92619571
[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 110251305
[3-[(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 95812707
morpholin-4-yl-[3-[(3R)-1-pyrazin-2-ylpyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 95816295
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063
(3-chloro-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 748154
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
(4-methylthiadiazol-5-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251160
(4-methylthiadiazol-5-yl)-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 95812755

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone (CID 92619490) is morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone is O=C(c1sc2ccccc2c1[C@@H]1CN(c2ncccn2)CCO1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone?
The InChIKey is RZKSKWAHDJFXQZ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-20(24-8-11-27-12-9-24)19-18(15-4-1-2-5-17(15)29-19)16-14-25(10-13-28-16)21-22-6-3-7-23-21/h1-7,16H,8-14H2/t16-/m0/s1.
What are the key properties of morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone?
morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone has a molecular weight of 410.50 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone is sourced from PubChem (CID 92619490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).