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

C22H28N2O3S — CID 110232947

IUPAC4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C22H28N2O3S/c1-4-20(25)24-10-11-27-22(15-24,21(26)23-16(2)3)13-17-7-5-6-8-19(17)18-9-12-28-14-18/h5-9,12,14,16H,4,10-11,13,15H2,1-3H3,(H,23,26)
InChIKeyYCNQLYXLIHEHGY-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.49
Rot. Bonds6

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

4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 110232947) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID110232947
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC Name4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1
InChIInChI=1S/C22H28N2O3S/c1-4-20(25)24-10-11-27-22(15-24,21(26)23-16(2)3)13-17-7-5-6-8-19(17)18-9-12-28-14-18/h5-9,12,14,16H,4,10-11,13,15H2,1-3H3,(H,23,26)
InChIKeyYCNQLYXLIHEHGY-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyacetyl)-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232948
2-[(2-phenylphenyl)methyl]-4-propanoyl-N-propan-2-ylmorpholine-2-carboxamide
CID 110232919
4-butanoyl-N,N-dimethyl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232934
(2R)-4-propanoyl-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849061
N-ethyl-4-(pyridine-3-carbonyl)-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232941
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
N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 110232865
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92553113
(2S)-N-ethyl-4-(2-methoxyacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
CID 92592644
(2R)-4-(2-methylpropanoyl)-N-propan-2-yl-2-[(4-thiophen-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 95849059
(3R)-1-propanoyl-N-propan-2-yl-3-[(2-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585183

Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide (CID 110232947) is 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is CCC(=O)N1CCOC(Cc2ccccc2-c2ccsc2)(C(=O)NC(C)C)C1.
What is the InChIKey of 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is YCNQLYXLIHEHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-20(25)24-10-11-27-22(15-24,21(26)23-16(2)3)13-17-7-5-6-8-19(17)18-9-12-28-14-18/h5-9,12,14,16H,4,10-11,13,15H2,1-3H3,(H,23,26).
What are the key properties of 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide?
4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 400.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-N-propan-2-yl-2-[(2-thiophen-3-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 110232947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).