N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

C20H21N3O3S — CID 71801174

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C20H21N3O3S/c24-19-13-26-12-18(23(19)11-15-4-3-9-27-15)20(25)21-8-7-14-10-22-17-6-2-1-5-16(14)17/h1-6,9-10,18,22H,7-8,11-13H2,(H,21,25)
InChIKeyBJTGVODUPXRUNT-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.32
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (PubChem CID 71801174) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
PubChem CID71801174
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1COCC(=O)N1Cc1cccs1
InChIInChI=1S/C20H21N3O3S/c24-19-13-26-12-18(23(19)11-15-4-3-9-27-15)20(25)21-8-7-14-10-22-17-6-2-1-5-16(14)17/h1-6,9-10,18,22H,7-8,11-13H2,(H,21,25)
InChIKeyBJTGVODUPXRUNT-UHFFFAOYSA-N
XLogP2.32
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
1-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600346
(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-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801184
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
(3S)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 97040891
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
(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]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
1-[2-(1H-indol-3-yl)ethyl]-2-methyl-3-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]guanidine;hydroiodide
CID 110995684

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide (CID 71801174) is N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1COCC(=O)N1Cc1cccs1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
The InChIKey is BJTGVODUPXRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-19-13-26-12-18(23(19)11-15-4-3-9-27-15)20(25)21-8-7-14-10-22-17-6-2-1-5-16(14)17/h1-6,9-10,18,22H,7-8,11-13H2,(H,21,25).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide is sourced from PubChem (CID 71801174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).