4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide

C18H20N2O3S — CID 56766014

IUPAC4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-17-13-23-12-16(20(17)11-14-5-2-1-3-6-14)18(22)19-9-8-15-7-4-10-24-15/h1-7,10,16H,8-9,11-13H2,(H,19,22)
InChIKeyIUIXJJOMZDAZQS-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.83
Rot. Bonds6

About 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide

4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide (PubChem CID 56766014) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
PubChem CID56766014
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1cccs1)C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C18H20N2O3S/c21-17-13-23-12-16(20(17)11-14-5-2-1-3-6-14)18(22)19-9-8-15-7-4-10-24-15/h1-7,10,16H,8-9,11-13H2,(H,19,22)
InChIKeyIUIXJJOMZDAZQS-UHFFFAOYSA-N
XLogP1.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide 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

(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
N-[2-(1H-indol-3-yl)ethyl]-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801174
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(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
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
(3R)-4-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 97074669
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
N-(2-carbamoylphenyl)-5-oxo-4-(thiophen-2-ylmethyl)morpholine-3-carboxamide
CID 71801184
4-benzyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 56766019

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The IUPAC name of 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide (CID 56766014) is 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide is O=C(NCCc1cccs1)C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide?
The InChIKey is IUIXJJOMZDAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c21-17-13-23-12-16(20(17)11-14-5-2-1-3-6-14)18(22)19-9-8-15-7-4-10-24-15/h1-7,10,16H,8-9,11-13H2,(H,19,22).
What are the key properties of 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide?
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 56766014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).