[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

C24H32N2O3S — CID 92619571

IUPAC[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1[C@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1
InChIInChI=1S/C24H32N2O3S/c27-24(26-11-13-28-14-12-26)23-22(19-8-4-5-9-21(19)30-23)20-17-25(10-15-29-20)16-18-6-2-1-3-7-18/h4-5,8-9,18,20H,1-3,6-7,10-17H2/t20-/m1/s1
InChIKeySZPPVUULEIAHJJ-HXUWFJFHSA-N
MW428.60 g/mol
LogP4.33
Rot. Bonds4

About [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone

[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (PubChem CID 92619571) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
PubChem CID92619571
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
SMILESO=C(c1sc2ccccc2c1[C@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1
InChIInChI=1S/C24H32N2O3S/c27-24(26-11-13-28-14-12-26)23-22(19-8-4-5-9-21(19)30-23)20-17-25(10-15-29-20)16-18-6-2-1-3-7-18/h4-5,8-9,18,20H,1-3,6-7,10-17H2/t20-/m1/s1
InChIKeySZPPVUULEIAHJJ-HXUWFJFHSA-N
XLogP4.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[3-[(2R)-4-pyrimidin-2-ylmorpholin-2-yl]-1-benzothiophen-2-yl]methanone
CID 92619490
[3-[4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 110251305
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063
3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
CID 95812694
morpholin-4-yl-[3-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-1-benzothiophen-2-yl]methanone
CID 110253769
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
1-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95812486
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 92619405
(4-methylthiadiazol-5-yl)-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 95812755
(4-methylthiadiazol-5-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251160

Frequently Asked Questions

What is the IUPAC name of [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone (CID 92619571) is [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is O=C(c1sc2ccccc2c1[C@H]1CN(CC2CCCCC2)CCO1)N1CCOCC1.
What is the InChIKey of [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
The InChIKey is SZPPVUULEIAHJJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H32N2O3S/c27-24(26-11-13-28-14-12-26)23-22(19-8-4-5-9-21(19)30-23)20-17-25(10-15-29-20)16-18-6-2-1-3-7-18/h4-5,8-9,18,20H,1-3,6-7,10-17H2/t20-/m1/s1.
What are the key properties of [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone?
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone has a molecular weight of 428.60 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 92619571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).