5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one

C18H18N2O3S — CID 71801176

IUPAC5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1cccs1)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-17-12-23-11-16(20(17)10-14-5-3-9-24-14)18(22)19-8-7-13-4-1-2-6-15(13)19/h1-6,9,16H,7-8,10-12H2
InChIKeyBHCYWOOSSPSYAI-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.06
Rot. Bonds3

About 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one

5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one (PubChem CID 71801176) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one.

Molecular Properties

Compound Name5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one
PubChem CID71801176
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one
SMILESO=C(C1COCC(=O)N1Cc1cccs1)N1CCc2ccccc21
InChIInChI=1S/C18H18N2O3S/c21-17-12-23-11-16(20(17)10-14-5-3-9-24-14)18(22)19-8-7-13-4-1-2-6-15(13)19/h1-6,9,16H,7-8,10-12H2
InChIKeyBHCYWOOSSPSYAI-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one 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

N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801184
(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 1477413
(3R)-5-oxo-N-[(2R)-4-phenylbutan-2-yl]-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040862
5-oxo-N-(4-phenylbutan-2-yl)-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801175
N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]-2,3-dihydroindole-1-carboxamide
CID 49110751
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040881
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
(3S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040891
(3R)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97105071
(3S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97105068
N-[(2S)-1-(2,3-dihydroindol-1-yl)-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-ylacetamide
CID 110351747
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one?
The IUPAC name of 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one (CID 71801176) is 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one.
What is the SMILES notation for 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one?
The canonical SMILES for 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one is O=C(C1COCC(=O)N1Cc1cccs1)N1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one?
The InChIKey is BHCYWOOSSPSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-17-12-23-11-16(20(17)10-14-5-3-9-24-14)18(22)19-8-7-13-4-1-2-6-15(13)19/h1-6,9,16H,7-8,10-12H2.
What are the key properties of 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one?
5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one has a molecular weight of 342.42 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one is sourced from PubChem (CID 71801176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).