4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

C22H28N2O4S — CID 110232948

IUPAC4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C22H28N2O4S/c1-16(2)23-21(26)22(15-24(9-10-28-22)20(25)13-27-3)12-17-6-4-5-7-19(17)18-8-11-29-14-18/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,23,26)
InChIKeyGZQWLWWBXBIZRJ-UHFFFAOYSA-N
MW416.54 g/mol
LogP2.73
Rot. Bonds7

About 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide

4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232948) has the molecular formula C22H28N2O4S and a molecular weight of 416.54 g/mol. Its IUPAC name is 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232948
Molecular FormulaC22H28N2O4S
Molecular Weight416.54 g/mol
Exact Mass416.18
IUPAC Name4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCOCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C22H28N2O4S/c1-16(2)23-21(26)22(15-24(9-10-28-22)20(25)13-27-3)12-17-6-4-5-7-19(17)18-8-11-29-14-18/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,23,26)
InChIKeyGZQWLWWBXBIZRJ-UHFFFAOYSA-N
XLogP2.73
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232947
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
(2R)-4-(2-methoxyacetyl)-N-methyl-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 95848813
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
N-cyclopropyl-2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)morpholine-2-carboxamide
CID 110232981
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
2-[[2-(4-fluorophenyl)phenyl]methyl]-4-(2-methoxyacetyl)-N,N-dimethylmorpholine-2-carboxamide
CID 110232963
N-ethyl-4-(2-methylpropanoyl)-2-[(2-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232856
4-(cyclohexanecarbonyl)-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232936
(2R)-4-propanoyl-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849061
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849059

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232948) is 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is COCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1.
What is the InChIKey of 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is GZQWLWWBXBIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4S/c1-16(2)23-21(26)22(15-24(9-10-28-22)20(25)13-27-3)12-17-6-4-5-7-19(17)18-8-11-29-14-18/h4-8,11,14,16H,9-10,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 416.54 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).