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

C20H25N3O3S — CID 95812694

IUPAC3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C20H25N3O3S/c21-17(24)6-8-22-7-5-14(13-22)18-15-3-1-2-4-16(15)27-19(18)20(25)23-9-11-26-12-10-23/h1-4,14H,5-13H2,(H2,21,24)/t14-/m0/s1
InChIKeyALUMJBFVAJYSAZ-AWEZNQCLSA-N
MW387.51 g/mol
LogP2.04
Rot. Bonds5

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

3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide (PubChem CID 95812694) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
PubChem CID95812694
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide
SMILESNC(=O)CCN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1
InChIInChI=1S/C20H25N3O3S/c21-17(24)6-8-22-7-5-14(13-22)18-15-3-1-2-4-16(15)27-19(18)20(25)23-9-11-26-12-10-23/h1-4,14H,5-13H2,(H2,21,24)/t14-/m0/s1
InChIKeyALUMJBFVAJYSAZ-AWEZNQCLSA-N
XLogP2.04
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
1-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95812486
morpholin-4-yl-[3-(1-pyrimidin-2-ylpyrrolidin-3-yl)-1-benzothiophen-2-yl]methanone
CID 110251132
(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-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
[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-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95816432
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 92619571

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide?
The IUPAC name of 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide (CID 95812694) is 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide?
The canonical SMILES for 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide is NC(=O)CCN1CC[C@H](c2c(C(=O)N3CCOCC3)sc3ccccc23)C1.
What is the InChIKey of 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide?
The InChIKey is ALUMJBFVAJYSAZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O3S/c21-17(24)6-8-22-7-5-14(13-22)18-15-3-1-2-4-16(15)27-19(18)20(25)23-9-11-26-12-10-23/h1-4,14H,5-13H2,(H2,21,24)/t14-/m0/s1.
What are the key properties of 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide?
3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide has a molecular weight of 387.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 95812694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).