[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone

C24H24N2O3S — CID 110251063

IUPAC[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C24H24N2O3S/c27-23(17-6-2-1-3-7-17)26-11-10-18(16-26)21-19-8-4-5-9-20(19)30-22(21)24(28)25-12-14-29-15-13-25/h1-9,18H,10-16H2
InChIKeyIZORKMJDUYVAIV-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.00
Rot. Bonds3

About [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone

[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110251063) has the molecular formula C24H24N2O3S and a molecular weight of 420.53 g/mol. Its IUPAC name is [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID110251063
Molecular FormulaC24H24N2O3S
Molecular Weight420.53 g/mol
Exact Mass420.15
IUPAC Name[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C24H24N2O3S/c27-23(17-6-2-1-3-7-17)26-11-10-18(16-26)21-19-8-4-5-9-20(19)30-22(21)24(28)25-12-14-29-15-13-25/h1-9,18H,10-16H2
InChIKeyIZORKMJDUYVAIV-UHFFFAOYSA-N
XLogP4.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
(6-amino-3-pyridinyl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251052
(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
1-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95812486
3-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95816432
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
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
[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-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706

Frequently Asked Questions

What is the IUPAC name of [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone (CID 110251063) is [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(c2c(C(=O)N3CCOCC3)sc3ccccc23)C1.
What is the InChIKey of [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is IZORKMJDUYVAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3S/c27-23(17-6-2-1-3-7-17)26-11-10-18(16-26)21-19-8-4-5-9-20(19)30-22(21)24(28)25-12-14-29-15-13-25/h1-9,18H,10-16H2.
What are the key properties of [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone?
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 420.53 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110251063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).